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

C17H20N6S2 — CID 145104358

IUPAC4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESC=N/C(=C\SCc1cccnc1C)c1csc(NC2=NCCCN2)n1
InChIInChI=1S/C17H20N6S2/c1-12-13(5-3-6-19-12)9-24-10-14(18-2)15-11-25-17(22-15)23-16-20-7-4-8-21-16/h3,5-6,10-11H,2,4,7-9H2,1H3,(H2,20,21,22,23)/b14-10-
InChIKeyKPDRWYXOPMJKJF-UVTDQMKNSA-N
MW372.52 g/mol
LogP3.54
Rot. Bonds6

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

4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104358) has the molecular formula C17H20N6S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104358
Molecular FormulaC17H20N6S2
Molecular Weight372.52 g/mol
Exact Mass372.12
IUPAC Name4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESC=N/C(=C\SCc1cccnc1C)c1csc(NC2=NCCCN2)n1
InChIInChI=1S/C17H20N6S2/c1-12-13(5-3-6-19-12)9-24-10-14(18-2)15-11-25-17(22-15)23-16-20-7-4-8-21-16/h3,5-6,10-11H,2,4,7-9H2,1H3,(H2,20,21,22,23)/b14-10-
InChIKeyKPDRWYXOPMJKJF-UVTDQMKNSA-N
XLogP3.54
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

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Related Compounds

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
4-[2-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]oxy-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104184
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
4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104641
N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145104363
4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105105
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104117
N-[(2-methoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914871
4-[2-(2,4-dimethylphenoxy)phenyl]-N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)-1,3-thiazol-2-amine
CID 132601874
4-(2-chloro-4-pyridinyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104006
4-[2-[[3-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]phenyl]methoxy]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105195

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 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) is 4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is C=N/C(=C\SCc1cccnc1C)c1csc(NC2=NCCCN2)n1.
What is the InChIKey of 4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is KPDRWYXOPMJKJF-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H20N6S2/c1-12-13(5-3-6-19-12)9-24-10-14(18-2)15-11-25-17(22-15)23-16-20-7-4-8-21-16/h3,5-6,10-11H,2,4,7-9H2,1H3,(H2,20,21,22,23)/b14-10-.
What are the key properties of 4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 372.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(methylideneamino)-2-[(2-methyl-3-pyridinyl)methylsulfanyl]ethenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).