2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide

C9H14ClN3O3S2 — CID 61042555

IUPAC2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C9H14ClN3O3S2/c1-5(2)13(4-7(11)14)18(15,16)8-6(3)12-9(10)17-8/h5H,4H2,1-3H3,(H2,11,14)
InChIKeyHMTWAUMJZVGVGJ-UHFFFAOYSA-N
MW311.82 g/mol
LogP0.99
Rot. Bonds5

About 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide

2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide (PubChem CID 61042555) has the molecular formula C9H14ClN3O3S2 and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide
PubChem CID61042555
Molecular FormulaC9H14ClN3O3S2
Molecular Weight311.82 g/mol
Exact Mass311.02
IUPAC Name2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C9H14ClN3O3S2/c1-5(2)13(4-7(11)14)18(15,16)8-6(3)12-9(10)17-8/h5H,4H2,1-3H3,(H2,11,14)
InChIKeyHMTWAUMJZVGVGJ-UHFFFAOYSA-N
XLogP0.99
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide (CID 61042555) is 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide is Cc1nc(Cl)sc1S(=O)(=O)N(CC(N)=O)C(C)C.
What is the InChIKey of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide?
The InChIKey is HMTWAUMJZVGVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S2/c1-5(2)13(4-7(11)14)18(15,16)8-6(3)12-9(10)17-8/h5H,4H2,1-3H3,(H2,11,14).
What are the key properties of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide?
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide has a molecular weight of 311.82 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 61042555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).