4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide

C14H11Br2N3OS3 — CID 166377921

IUPAC4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1nc(C)c(-c2csc(NC(=O)c3sc(Br)c(Br)c3C)n2)s1
InChIInChI=1S/C14H11Br2N3OS3/c1-5-9(15)12(16)23-10(5)13(20)19-14-18-8(4-21-14)11-6(2)17-7(3)22-11/h4H,1-3H3,(H,18,19,20)
InChIKeyKWOQRBDKNZYWDI-UHFFFAOYSA-N
MW493.27 g/mol
LogP6.03
Rot. Bonds3

About 4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide

4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide (PubChem CID 166377921) has the molecular formula C14H11Br2N3OS3 and a molecular weight of 493.27 g/mol. Its IUPAC name is 4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
PubChem CID166377921
Molecular FormulaC14H11Br2N3OS3
Molecular Weight493.27 g/mol
Exact Mass490.84
IUPAC Name4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1nc(C)c(-c2csc(NC(=O)c3sc(Br)c(Br)c3C)n2)s1
InChIInChI=1S/C14H11Br2N3OS3/c1-5-9(15)12(16)23-10(5)13(20)19-14-18-8(4-21-14)11-6(2)17-7(3)22-11/h4H,1-3H3,(H,18,19,20)
InChIKeyKWOQRBDKNZYWDI-UHFFFAOYSA-N
XLogP6.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.27
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea
CID 126664102
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2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
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N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
CID 155567806
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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide (CID 166377921) is 4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide is Cc1nc(C)c(-c2csc(NC(=O)c3sc(Br)c(Br)c3C)n2)s1.
What is the InChIKey of 4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is KWOQRBDKNZYWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3OS3/c1-5-9(15)12(16)23-10(5)13(20)19-14-18-8(4-21-14)11-6(2)17-7(3)22-11/h4H,1-3H3,(H,18,19,20).
What are the key properties of 4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide?
4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 493.27 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 166377921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).