2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide

C11H19N3O2S2 — CID 63946414

IUPAC2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1(C)CCCCC1
InChIInChI=1S/C11H19N3O2S2/c1-8-9(17-10(12)13-8)18(15,16)14-11(2)6-4-3-5-7-11/h14H,3-7H2,1-2H3,(H2,12,13)
InChIKeyYVQSACCAACIODQ-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.03
Rot. Bonds3

About 2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide

2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63946414) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
PubChem CID63946414
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1(C)CCCCC1
InChIInChI=1S/C11H19N3O2S2/c1-8-9(17-10(12)13-8)18(15,16)14-11(2)6-4-3-5-7-11/h14H,3-7H2,1-2H3,(H2,12,13)
InChIKeyYVQSACCAACIODQ-UHFFFAOYSA-N
XLogP2.03
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide (CID 63946414) is 2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC1(C)CCCCC1.
What is the InChIKey of 2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is YVQSACCAACIODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-8-9(17-10(12)13-8)18(15,16)14-11(2)6-4-3-5-7-11/h14H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 289.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).