2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid

C8H12N2O4S2 — CID 60951190

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid
SMILESCc1ncc(CN(C)S(=O)(=O)CC(=O)O)s1
InChIInChI=1S/C8H12N2O4S2/c1-6-9-3-7(15-6)4-10(2)16(13,14)5-8(11)12/h3H,4-5H2,1-2H3,(H,11,12)
InChIKeyASMDUOFHUZNLPM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.30
Rot. Bonds5

About 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid

2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid (PubChem CID 60951190) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid
PubChem CID60951190
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid
SMILESCc1ncc(CN(C)S(=O)(=O)CC(=O)O)s1
InChIInChI=1S/C8H12N2O4S2/c1-6-9-3-7(15-6)4-10(2)16(13,14)5-8(11)12/h3H,4-5H2,1-2H3,(H,11,12)
InChIKeyASMDUOFHUZNLPM-UHFFFAOYSA-N
XLogP0.30
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanoic acid
CID 63019605
2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid
CID 63021521
2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61067597
2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 61067669
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 60949049
N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 146083931
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-sulfonamide
CID 61253919
4-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 65481998
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 107904478
2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid
CID 63019783
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 61372216
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 165376869

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid (CID 60951190) is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid is Cc1ncc(CN(C)S(=O)(=O)CC(=O)O)s1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid?
The InChIKey is ASMDUOFHUZNLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-6-9-3-7(15-6)4-10(2)16(13,14)5-8(11)12/h3H,4-5H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid?
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid has a molecular weight of 264.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid is sourced from PubChem (CID 60951190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).