N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C17H17Cl2N5S2 — CID 145104675

IUPACN-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=N/C(=C\SCNC1=NCCCN1)c1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H17Cl2N5S2/c1-20-14(8-25-10-23-17-21-5-2-6-22-17)15-9-26-16(24-15)12-4-3-11(18)7-13(12)19/h3-4,7-9H,1-2,5-6,10H2,(H2,21,22,23)/b14-8-
InChIKeyKEKUBOKBADHBBP-ZSOIEALJSA-N
MW426.40 g/mol
LogP4.75
Rot. Bonds6

About N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 145104675) has the molecular formula C17H17Cl2N5S2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID145104675
Molecular FormulaC17H17Cl2N5S2
Molecular Weight426.40 g/mol
Exact Mass425.03
IUPAC NameN-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=N/C(=C\SCNC1=NCCCN1)c1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H17Cl2N5S2/c1-20-14(8-25-10-23-17-21-5-2-6-22-17)15-9-26-16(24-15)12-4-3-11(18)7-13(12)19/h3-4,7-9H,1-2,5-6,10H2,(H2,21,22,23)/b14-8-
InChIKeyKEKUBOKBADHBBP-ZSOIEALJSA-N
XLogP4.75
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine with MolForge

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Related Compounds

6-methyl-5-[4-[(Z)-1-(methylideneamino)-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methylsulfanyl]ethenyl]-1,3-thiazol-2-yl]-1H-pyridin-2-one;oxolane
CID 145105137
N-[[(Z)-2-(methylideneamino)-2-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145104731
N-[[(Z)-2-[6-(3,4-dihydro-2H-chromen-6-yl)-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145104938
4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104358
N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145105022
4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 139794174
N-[3-(2,4-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111549402
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120966499
1,3-diazinane;N-[[(Z)-2-[2-(2-methoxypyrimidin-5-yl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine
CID 145104350
4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104213
2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119550263

Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 145104675) is N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is C=N/C(=C\SCNC1=NCCCN1)c1csc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is KEKUBOKBADHBBP-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H17Cl2N5S2/c1-20-14(8-25-10-23-17-21-5-2-6-22-17)15-9-26-16(24-15)12-4-3-11(18)7-13(12)19/h3-4,7-9H,1-2,5-6,10H2,(H2,21,22,23)/b14-8-.
What are the key properties of N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 426.40 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 145104675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).