N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide

C18H18N4OS — CID 90125514

IUPACN,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)N(C)[C@H](C)c1ccccn1
InChIInChI=1S/C18H18N4OS/c1-12-16(24-17(21-12)14-7-6-9-19-11-14)18(23)22(3)13(2)15-8-4-5-10-20-15/h4-11,13H,1-3H3/t13-/m1/s1
InChIKeyXJVFTCAJMIGNJQ-CYBMUJFWSA-N
MW338.44 g/mol
LogP3.74
Rot. Bonds4

About N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 90125514) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
PubChem CID90125514
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)N(C)[C@H](C)c1ccccn1
InChIInChI=1S/C18H18N4OS/c1-12-16(24-17(21-12)14-7-6-9-19-11-14)18(23)22(3)13(2)15-8-4-5-10-20-15/h4-11,13H,1-3H3/t13-/m1/s1
InChIKeyXJVFTCAJMIGNJQ-CYBMUJFWSA-N
XLogP3.74
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027
4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 171678664
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028
N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 75505274
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86824226
4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71488056
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 82032654
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 28560675
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 55881727
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide (CID 90125514) is N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)N(C)[C@H](C)c1ccccn1.
What is the InChIKey of N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XJVFTCAJMIGNJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-16(24-17(21-12)14-7-6-9-19-11-14)18(23)22(3)13(2)15-8-4-5-10-20-15/h4-11,13H,1-3H3/t13-/m1/s1.
What are the key properties of N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90125514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).