4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide

C18H20N6OS — CID 57329859

IUPAC4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(/C=C/c2c(-c3ccccn3)nnn2C)sc1C(=O)NC(C)C
InChIInChI=1S/C18H20N6OS/c1-11(2)20-18(25)17-12(3)21-15(26-17)9-8-14-16(22-23-24(14)4)13-7-5-6-10-19-13/h5-11H,1-4H3,(H,20,25)/b9-8+
InChIKeyBCXRNFPHFTVMNW-CMDGGOBGSA-N
MW368.47 g/mol
LogP2.95
Rot. Bonds5

About 4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 57329859) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID57329859
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(/C=C/c2c(-c3ccccn3)nnn2C)sc1C(=O)NC(C)C
InChIInChI=1S/C18H20N6OS/c1-11(2)20-18(25)17-12(3)21-15(26-17)9-8-14-16(22-23-24(14)4)13-7-5-6-10-19-13/h5-11H,1-4H3,(H,20,25)/b9-8+
InChIKeyBCXRNFPHFTVMNW-CMDGGOBGSA-N
XLogP2.95
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 57329859) is 4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(/C=C/c2c(-c3ccccn3)nnn2C)sc1C(=O)NC(C)C.
What is the InChIKey of 4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BCXRNFPHFTVMNW-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-11(2)20-18(25)17-12(3)21-15(26-17)9-8-14-16(22-23-24(14)4)13-7-5-6-10-19-13/h5-11H,1-4H3,(H,20,25)/b9-8+.
What are the key properties of 4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-2-(3-methyl-5-pyridin-2-yltriazol-4-yl)ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 57329859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).