N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

C16H12F2N4OS — CID 90510350

IUPACN-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1csc(Nc2cccnc2)n1
InChIInChI=1S/C16H12F2N4OS/c17-11-4-3-10(13(18)6-11)7-20-15(23)14-9-24-16(22-14)21-12-2-1-5-19-8-12/h1-6,8-9H,7H2,(H,20,23)(H,21,22)
InChIKeyLEFLFKYVIRFKPV-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.49
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90510350) has the molecular formula C16H12F2N4OS and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90510350
Molecular FormulaC16H12F2N4OS
Molecular Weight346.36 g/mol
Exact Mass346.07
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1csc(Nc2cccnc2)n1
InChIInChI=1S/C16H12F2N4OS/c17-11-4-3-10(13(18)6-11)7-20-15(23)14-9-24-16(22-14)21-12-2-1-5-19-8-12/h1-6,8-9H,7H2,(H,20,23)(H,21,22)
InChIKeyLEFLFKYVIRFKPV-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174
2-(2,4-difluorophenyl)-N-pyridin-3-ylacetamide
CID 110488862
N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510250
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
methyl 2-[(2,4-difluorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 115424235
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
2-(2,4-difluorophenyl)-N-[(2-pyridin-3-ylphenyl)methyl]acetamide
CID 166339826
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510179

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (CID 90510350) is N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(F)cc1F)c1csc(Nc2cccnc2)n1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is LEFLFKYVIRFKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4OS/c17-11-4-3-10(13(18)6-11)7-20-15(23)14-9-24-16(22-14)21-12-2-1-5-19-8-12/h1-6,8-9H,7H2,(H,20,23)(H,21,22).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90510350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).