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

C19H21N5O2S — CID 145104184

IUPAC4-[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
SMILESC=C/C(OC)=C(\C=C)Oc1ncccc1-c1csc(NC2=NCCCN2)n1
InChIInChI=1S/C19H21N5O2S/c1-4-15(25-3)16(5-2)26-17-13(8-6-9-20-17)14-12-27-19(23-14)24-18-21-10-7-11-22-18/h4-6,8-9,12H,1-2,7,10-11H2,3H3,(H2,21,22,23,24)/b16-15-
InChIKeyFLQCNJDNRBJQJF-NXVVXOECSA-N
MW383.48 g/mol
LogP3.58
Rot. Bonds7

About 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

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 (PubChem CID 145104184) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID145104184
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name4-[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
SMILESC=C/C(OC)=C(\C=C)Oc1ncccc1-c1csc(NC2=NCCCN2)n1
InChIInChI=1S/C19H21N5O2S/c1-4-15(25-3)16(5-2)26-17-13(8-6-9-20-17)14-12-27-19(23-14)24-18-21-10-7-11-22-18/h4-6,8-9,12H,1-2,7,10-11H2,3H3,(H2,21,22,23,24)/b16-15-
InChIKeyFLQCNJDNRBJQJF-NXVVXOECSA-N
XLogP3.58
TPSA80.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104641
4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104213
2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104564
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
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
4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104117
4-(2-chloro-4-pyridinyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104006
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
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-[[3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methoxy]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105183
tert-butyl 3-[6-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-2-pyridinyl]benzoate
CID 145104888

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C(OC)=C(\C=C)Oc1ncccc1-c1csc(NC2=NCCCN2)n1.
What is the InChIKey of 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?
The InChIKey is FLQCNJDNRBJQJF-NXVVXOECSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-4-15(25-3)16(5-2)26-17-13(8-6-9-20-17)14-12-27-19(23-14)24-18-21-10-7-11-22-18/h4-6,8-9,12H,1-2,7,10-11H2,3H3,(H2,21,22,23,24)/b16-15-.
What are the key properties of 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?
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 has a molecular weight of 383.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145104184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).