2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C18H17FN4O2S — CID 55686455

IUPAC2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cccnc3N(C)C)n2)cc1F
InChIInChI=1S/C18H17FN4O2S/c1-23(2)16-12(5-4-8-20-16)17(24)22-18-21-14(10-26-18)11-6-7-15(25-3)13(19)9-11/h4-10H,1-3H3,(H,21,22,24)
InChIKeyKIWXEWYOEJYDEN-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.67
Rot. Bonds5

About 2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 55686455) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID55686455
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cccnc3N(C)C)n2)cc1F
InChIInChI=1S/C18H17FN4O2S/c1-23(2)16-12(5-4-8-20-16)17(24)22-18-21-14(10-26-18)11-6-7-15(25-3)13(19)9-11/h4-10H,1-3H3,(H,21,22,24)
InChIKeyKIWXEWYOEJYDEN-UHFFFAOYSA-N
XLogP3.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxypyridine-3-carboxamide
CID 134002964
2-(dimethylamino)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 38905414
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38904720
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 2102582
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 27993274
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 48998095
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859316
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55414517
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 16561580

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 55686455) is 2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3cccnc3N(C)C)n2)cc1F.
What is the InChIKey of 2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is KIWXEWYOEJYDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-23(2)16-12(5-4-8-20-16)17(24)22-18-21-14(10-26-18)11-6-7-15(25-3)13(19)9-11/h4-10H,1-3H3,(H,21,22,24).
What are the key properties of 2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 55686455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).