4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid

C9H14N2O4S2 — CID 104936317

IUPAC4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
SMILESCc1ncc(S(=O)(=O)NC(C)CCC(=O)O)s1
InChIInChI=1S/C9H14N2O4S2/c1-6(3-4-8(12)13)11-17(14,15)9-5-10-7(2)16-9/h5-6,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyQLBZINXEZWXAKT-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.98
Rot. Bonds6

About 4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid

4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid (PubChem CID 104936317) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
PubChem CID104936317
Molecular FormulaC9H14N2O4S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Name4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
SMILESCc1ncc(S(=O)(=O)NC(C)CCC(=O)O)s1
InChIInChI=1S/C9H14N2O4S2/c1-6(3-4-8(12)13)11-17(14,15)9-5-10-7(2)16-9/h5-6,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyQLBZINXEZWXAKT-UHFFFAOYSA-N
XLogP0.98
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416028
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
N-[(2S,4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 97074662
N-(1-bromopentan-3-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416148
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 103414340
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416070
3-[tert-butyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
CID 103414111
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentyl]acetic acid
CID 103414272
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 106158450

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid (CID 104936317) is 4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid is Cc1ncc(S(=O)(=O)NC(C)CCC(=O)O)s1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid?
The InChIKey is QLBZINXEZWXAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-6(3-4-8(12)13)11-17(14,15)9-5-10-7(2)16-9/h5-6,11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid?
4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid has a molecular weight of 278.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 104936317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).