N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide

C16H18FN3OS — CID 30142092

IUPACN-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)sc1C(=O)NC1CCCC1
InChIInChI=1S/C16H18FN3OS/c1-10-14(15(21)19-12-4-2-3-5-12)22-16(18-10)20-13-8-6-11(17)7-9-13/h6-9,12H,2-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyNHMILNMYCBIABW-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.01
Rot. Bonds4

About N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide

N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 30142092) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID30142092
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC NameN-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)sc1C(=O)NC1CCCC1
InChIInChI=1S/C16H18FN3OS/c1-10-14(15(21)19-12-4-2-3-5-12)22-16(18-10)20-13-8-6-11(17)7-9-13/h6-9,12H,2-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyNHMILNMYCBIABW-UHFFFAOYSA-N
XLogP4.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 30142399
2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 30142215
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
2-(4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 30142552
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142209
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142319
N-cycloheptyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944956

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 30142092) is N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NHMILNMYCBIABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-10-14(15(21)19-12-4-2-3-5-12)22-16(18-10)20-13-8-6-11(17)7-9-13/h6-9,12H,2-5H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30142092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).