N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

C14H15BrN2O3S2 — CID 55823968

IUPACN-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)NS(=O)(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C14H15BrN2O3S2/c1-3-4-12-16-9(2)13(21-12)14(18)17-22(19,20)11-7-5-10(15)6-8-11/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeySYOLBMVZXHCYDU-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.29
Rot. Bonds5

About N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 55823968) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID55823968
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC NameN-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)NS(=O)(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C14H15BrN2O3S2/c1-3-4-12-16-9(2)13(21-12)14(18)17-22(19,20)11-7-5-10(15)6-8-11/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeySYOLBMVZXHCYDU-UHFFFAOYSA-N
XLogP3.29
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119199794
2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide
CID 49322441
2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119219168
4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 119431660
N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 120569197
2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 50740566
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944549
N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71940271
2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47031545
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 47066160
N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 119421156

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (CID 55823968) is N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(C)c(C(=O)NS(=O)(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is SYOLBMVZXHCYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c1-3-4-12-16-9(2)13(21-12)14(18)17-22(19,20)11-7-5-10(15)6-8-11/h5-8H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55823968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).