2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide

C14H17BrN2OS2 — CID 167970989

IUPAC2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESCc1sc(Br)c(C(=O)Nc2ncc(CC(C)C)s2)c1C
InChIInChI=1S/C14H17BrN2OS2/c1-7(2)5-10-6-16-14(20-10)17-13(18)11-8(3)9(4)19-12(11)15/h6-7H,5H2,1-4H3,(H,16,17,18)
InChIKeyGMHIRRXYFHZQDK-UHFFFAOYSA-N
MW373.34 g/mol
LogP5.03
Rot. Bonds4

About 2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide

2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide (PubChem CID 167970989) has the molecular formula C14H17BrN2OS2 and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
PubChem CID167970989
Molecular FormulaC14H17BrN2OS2
Molecular Weight373.34 g/mol
Exact Mass372.00
IUPAC Name2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESCc1sc(Br)c(C(=O)Nc2ncc(CC(C)C)s2)c1C
InChIInChI=1S/C14H17BrN2OS2/c1-7(2)5-10-6-16-14(20-10)17-13(18)11-8(3)9(4)19-12(11)15/h6-7H,5H2,1-4H3,(H,16,17,18)
InChIKeyGMHIRRXYFHZQDK-UHFFFAOYSA-N
XLogP5.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.34
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 166349691
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
1-[(2R,3S)-4-hydroxy-3-methylbutan-2-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
CID 97226993
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
CID 75514312
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide
CID 75427283
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55993312
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 130680042
3-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]-3-oxopropanoic acid
CID 86760124
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 54138651
N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82815247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide (CID 167970989) is 2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide is Cc1sc(Br)c(C(=O)Nc2ncc(CC(C)C)s2)c1C.
What is the InChIKey of 2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is GMHIRRXYFHZQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS2/c1-7(2)5-10-6-16-14(20-10)17-13(18)11-8(3)9(4)19-12(11)15/h6-7H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 167970989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).