2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide

C8H12ClN3O3S2 — CID 43455977

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H12ClN3O3S2/c1-11(2)6(13)5-12(3)17(14,15)7-4-10-8(9)16-7/h4H,5H2,1-3H3
InChIKeyMHBSRCSZNCJUIP-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.51
Rot. Bonds4

About 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide (PubChem CID 43455977) has the molecular formula C8H12ClN3O3S2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
PubChem CID43455977
Molecular FormulaC8H12ClN3O3S2
Molecular Weight297.79 g/mol
Exact Mass297.00
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H12ClN3O3S2/c1-11(2)6(13)5-12(3)17(14,15)7-4-10-8(9)16-7/h4H,5H2,1-3H3
InChIKeyMHBSRCSZNCJUIP-UHFFFAOYSA-N
XLogP0.51
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide (CID 43455977) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is MHBSRCSZNCJUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S2/c1-11(2)6(13)5-12(3)17(14,15)7-4-10-8(9)16-7/h4H,5H2,1-3H3.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 297.79 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43455977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).