2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide

C10H12BrN3O2S3 — CID 63944435

IUPAC2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C10H12BrN3O2S3/c1-6-9(18-10(12)13-6)19(15,16)14(2)4-7-3-8(11)17-5-7/h3,5H,4H2,1-2H3,(H2,12,13)
InChIKeyZPTDHZBKUBNYJE-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.68
Rot. Bonds4

About 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide

2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 63944435) has the molecular formula C10H12BrN3O2S3 and a molecular weight of 382.33 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID63944435
Molecular FormulaC10H12BrN3O2S3
Molecular Weight382.33 g/mol
Exact Mass380.93
IUPAC Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C10H12BrN3O2S3/c1-6-9(18-10(12)13-6)19(15,16)14(2)4-7-3-8(11)17-5-7/h3,5H,4H2,1-2H3,(H2,12,13)
InChIKeyZPTDHZBKUBNYJE-UHFFFAOYSA-N
XLogP2.68
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 63944435) is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ZPTDHZBKUBNYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2S3/c1-6-9(18-10(12)13-6)19(15,16)14(2)4-7-3-8(11)17-5-7/h3,5H,4H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 382.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63944435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).