4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide

C14H17BrN4O2S — CID 75397995

IUPAC4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1cc(Br)c[nH]1)C(=O)Nc1nccs1
InChIInChI=1S/C14H17BrN4O2S/c1-8(2)5-11(13(21)19-14-16-3-4-22-14)18-12(20)10-6-9(15)7-17-10/h3-4,6-8,11,17H,5H2,1-2H3,(H,18,20)(H,16,19,21)
InChIKeyQNPPYCLIADUBLV-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.02
Rot. Bonds6

About 4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide

4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 75397995) has the molecular formula C14H17BrN4O2S and a molecular weight of 385.29 g/mol. Its IUPAC name is 4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID75397995
Molecular FormulaC14H17BrN4O2S
Molecular Weight385.29 g/mol
Exact Mass384.03
IUPAC Name4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1cc(Br)c[nH]1)C(=O)Nc1nccs1
InChIInChI=1S/C14H17BrN4O2S/c1-8(2)5-11(13(21)19-14-16-3-4-22-14)18-12(20)10-6-9(15)7-17-10/h3-4,6-8,11,17H,5H2,1-2H3,(H,18,20)(H,16,19,21)
InChIKeyQNPPYCLIADUBLV-UHFFFAOYSA-N
XLogP3.02
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide
CID 97143321
4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide
CID 97143316
1-methyl-N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143319
1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143318
N-[1-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 55406031
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide
CID 5171439
N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 146124997
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2H-benzotriazole-5-carboxamide
CID 6415129
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
(2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 97254055

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide (CID 75397995) is 4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide is CC(C)CC(NC(=O)c1cc(Br)c[nH]1)C(=O)Nc1nccs1.
What is the InChIKey of 4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is QNPPYCLIADUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2S/c1-8(2)5-11(13(21)19-14-16-3-4-22-14)18-12(20)10-6-9(15)7-17-10/h3-4,6-8,11,17H,5H2,1-2H3,(H,18,20)(H,16,19,21).
What are the key properties of 4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 385.29 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75397995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).