2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide

C8H12ClN3OS — CID 83152641

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(Cl)cs1
InChIInChI=1S/C8H12ClN3OS/c1-5(2)11-7(13)3-10-8-12-6(9)4-14-8/h4-5H,3H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyWJOFBOXNLVHBKJ-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.73
Rot. Bonds4

About 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide

2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 83152641) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID83152641
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(Cl)cs1
InChIInChI=1S/C8H12ClN3OS/c1-5(2)11-7(13)3-10-8-12-6(9)4-14-8/h4-5H,3H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyWJOFBOXNLVHBKJ-UHFFFAOYSA-N
XLogP1.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide (CID 83152641) is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nc(Cl)cs1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is WJOFBOXNLVHBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c1-5(2)11-7(13)3-10-8-12-6(9)4-14-8/h4-5H,3H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide?
2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 233.72 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 83152641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).