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

C7H10ClN3OS — CID 83152175

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide
SMILESCC(C)(Nc1nc(Cl)cs1)C(N)=O
InChIInChI=1S/C7H10ClN3OS/c1-7(2,5(9)12)11-6-10-4(8)3-13-6/h3H,1-2H3,(H2,9,12)(H,10,11)
InChIKeyPEMJOTSKFGELSQ-UHFFFAOYSA-N
MW219.70 g/mol
LogP1.47
Rot. Bonds3

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

2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide (PubChem CID 83152175) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide
PubChem CID83152175
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide
SMILESCC(C)(Nc1nc(Cl)cs1)C(N)=O
InChIInChI=1S/C7H10ClN3OS/c1-7(2,5(9)12)11-6-10-4(8)3-13-6/h3H,1-2H3,(H2,9,12)(H,10,11)
InChIKeyPEMJOTSKFGELSQ-UHFFFAOYSA-N
XLogP1.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 51.47
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]-2-methylpropanamide?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide (CID 83152175) is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide is CC(C)(Nc1nc(Cl)cs1)C(N)=O.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide?
The InChIKey is PEMJOTSKFGELSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c1-7(2,5(9)12)11-6-10-4(8)3-13-6/h3H,1-2H3,(H2,9,12)(H,10,11).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide?
2-[(4-chloro-1,3-thiazol-2-yl)amino]-2-methylpropanamide has a molecular weight of 219.70 g/mol, XLogP of 1.47, 3 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]-2-methylpropanamide is sourced from PubChem (CID 83152175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).