2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide

C15H19ClN4OS — CID 120900436

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1cnc(N)s1
InChIInChI=1S/C15H19ClN4OS/c1-2-7-20(9-13-8-18-15(17)22-13)10-14(21)19-12-5-3-11(16)4-6-12/h3-6,8H,2,7,9-10H2,1H3,(H2,17,18)(H,19,21)
InChIKeyLJVNOUNHAMDCOV-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.23
Rot. Bonds7

About 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide

2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide (PubChem CID 120900436) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide
PubChem CID120900436
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1cnc(N)s1
InChIInChI=1S/C15H19ClN4OS/c1-2-7-20(9-13-8-18-15(17)22-13)10-14(21)19-12-5-3-11(16)4-6-12/h3-6,8H,2,7,9-10H2,1H3,(H2,17,18)(H,19,21)
InChIKeyLJVNOUNHAMDCOV-UHFFFAOYSA-N
XLogP3.23
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 120751904
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 119783818
2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119783817
N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61425121
N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 110881682
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate
CID 120899079
4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
CID 2541352
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
CID 63233662

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide (CID 120900436) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1cnc(N)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide?
The InChIKey is LJVNOUNHAMDCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-2-7-20(9-13-8-18-15(17)22-13)10-14(21)19-12-5-3-11(16)4-6-12/h3-6,8H,2,7,9-10H2,1H3,(H2,17,18)(H,19,21).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide?
2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide has a molecular weight of 338.86 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 120900436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).