N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

C16H15F2N3O2S — CID 53169058

IUPACN-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)Nc2cc(F)cc(F)c2)sc1C(=O)NC1CC1
InChIInChI=1S/C16H15F2N3O2S/c1-8-15(16(23)21-11-2-3-11)24-14(19-8)7-13(22)20-12-5-9(17)4-10(18)6-12/h4-6,11H,2-3,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyMTRPTOXHKOYHRM-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.80
Rot. Bonds5

About N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53169058) has the molecular formula C16H15F2N3O2S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53169058
Molecular FormulaC16H15F2N3O2S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)Nc2cc(F)cc(F)c2)sc1C(=O)NC1CC1
InChIInChI=1S/C16H15F2N3O2S/c1-8-15(16(23)21-11-2-3-11)24-14(19-8)7-13(22)20-12-5-9(17)4-10(18)6-12/h4-6,11H,2-3,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyMTRPTOXHKOYHRM-UHFFFAOYSA-N
XLogP2.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 53169058) is N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(CC(=O)Nc2cc(F)cc(F)c2)sc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MTRPTOXHKOYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S/c1-8-15(16(23)21-11-2-3-11)24-14(19-8)7-13(22)20-12-5-9(17)4-10(18)6-12/h4-6,11H,2-3,7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53169058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).