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

C8H12ClN3OS — CID 83151821

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1nc(Cl)cs1)C(=O)N(C)C
InChIInChI=1S/C8H12ClN3OS/c1-5(7(13)12(2)3)10-8-11-6(9)4-14-8/h4-5H,1-3H3,(H,10,11)
InChIKeyAWZIQKNUYRXQNN-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.69
Rot. Bonds3

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

2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 83151821) 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,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID83151821
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1nc(Cl)cs1)C(=O)N(C)C
InChIInChI=1S/C8H12ClN3OS/c1-5(7(13)12(2)3)10-8-11-6(9)4-14-8/h4-5H,1-3H3,(H,10,11)
InChIKeyAWZIQKNUYRXQNN-UHFFFAOYSA-N
XLogP1.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.69
H-Bond Donors ≤ 51
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,N-dimethylpropanamide?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide (CID 83151821) is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide is CC(Nc1nc(Cl)cs1)C(=O)N(C)C.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is AWZIQKNUYRXQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c1-5(7(13)12(2)3)10-8-11-6(9)4-14-8/h4-5H,1-3H3,(H,10,11).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide?
2-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 233.72 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 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,N-dimethylpropanamide is sourced from PubChem (CID 83151821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).