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

C9H14ClN3OS — CID 83152529

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(Cl)cs1
InChIInChI=1S/C9H14ClN3OS/c1-3-4-11-8(14)6(2)12-9-13-7(10)5-15-9/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyITOPARCEUVBYBN-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.12
Rot. Bonds5

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

2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide (PubChem CID 83152529) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
PubChem CID83152529
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(Cl)cs1
InChIInChI=1S/C9H14ClN3OS/c1-3-4-11-8(14)6(2)12-9-13-7(10)5-15-9/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyITOPARCEUVBYBN-UHFFFAOYSA-N
XLogP2.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 79399138
2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 80575991
ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575699
2,6-dichloro-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 60659620
2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine
CID 83156525
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801182
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide
CID 81036335
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79143008
2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide
CID 47455504
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 61478157
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanamide
CID 61467738

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide (CID 83152529) is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc(Cl)cs1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The InChIKey is ITOPARCEUVBYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-3-4-11-8(14)6(2)12-9-13-7(10)5-15-9/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide has a molecular weight of 247.75 g/mol, XLogP of 2.12, 5 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-propylpropanamide is sourced from PubChem (CID 83152529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).