1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea

C13H11BrN4O3S2 — CID 42635072

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea
SMILESCn1cc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c2ccccc21
InChIInChI=1S/C13H11BrN4O3S2/c1-18-7-10(8-4-2-3-5-9(8)18)23(20,21)17-12(19)16-13-15-6-11(14)22-13/h2-7H,1H3,(H2,15,16,17,19)
InChIKeyNPDQVMSMJHIPDQ-UHFFFAOYSA-N
MW415.29 g/mol
LogP2.91
Rot. Bonds3

About 1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea

1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea (PubChem CID 42635072) has the molecular formula C13H11BrN4O3S2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea
PubChem CID42635072
Molecular FormulaC13H11BrN4O3S2
Molecular Weight415.29 g/mol
Exact Mass413.95
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea
SMILESCn1cc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c2ccccc21
InChIInChI=1S/C13H11BrN4O3S2/c1-18-7-10(8-4-2-3-5-9(8)18)23(20,21)17-12(19)16-13-15-6-11(14)22-13/h2-7H,1H3,(H2,15,16,17,19)
InChIKeyNPDQVMSMJHIPDQ-UHFFFAOYSA-N
XLogP2.91
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(5-bromothiazol-2-ylcarbamoyl)-5-(6-fluoropyridin-3-yl)-4-methylthiophene-2-sulfonamide
CID 24780310
4-indol-1-yl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657233
1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 10455977
5-Thiazolylsulfonyl tryptamine, 11p
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N-(benzo[d]thiazol-2-yl)-2-((1-methyl-1H-indol-3-yl)thio)acetamide
CID 3236931
2-[[1-(phenylmethyl)-3-indolyl]thio]-N-(2-thiazolyl)acetamide
CID 3529029
2-[(1-methyl-3-indolyl)thio]-N-(2-thiazolyl)acetamide
CID 3659304
2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)-N-(thiazol-2-yl)acetamide
CID 4111785
2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-N-(thiazol-2-yl)acetamide
CID 4571087
4-[1-(Benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea (CID 42635072) is 1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea is Cn1cc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)c2ccccc21.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea?
The InChIKey is NPDQVMSMJHIPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O3S2/c1-18-7-10(8-4-2-3-5-9(8)18)23(20,21)17-12(19)16-13-15-6-11(14)22-13/h2-7H,1H3,(H2,15,16,17,19).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea?
1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea has a molecular weight of 415.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-3-(1-methylindol-3-yl)sulfonylurea is sourced from PubChem (CID 42635072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).