2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide

C16H19ClN4O2S — CID 119783818

IUPAC2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(CN)n1
InChIInChI=1S/C16H19ClN4O2S/c1-2-7-21(16(23)13-10-24-15(8-18)20-13)9-14(22)19-12-5-3-11(17)4-6-12/h3-6,10H,2,7-9,18H2,1H3,(H,19,22)
InChIKeyJEDDBKYBAYWRFM-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.75
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 119783818) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID119783818
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(CN)n1
InChIInChI=1S/C16H19ClN4O2S/c1-2-7-21(16(23)13-10-24-15(8-18)20-13)9-14(22)19-12-5-3-11(17)4-6-12/h3-6,10H,2,7-9,18H2,1H3,(H,19,22)
InChIKeyJEDDBKYBAYWRFM-UHFFFAOYSA-N
XLogP2.75
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119783817
2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide
CID 66376879
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(aminomethyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-4-carboxamide
CID 119682088
2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119204842
2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N,N-diethyl-1,3-thiazole-4-carboxamide
CID 1199390
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-ethylamino]acetic acid
CID 66377881
2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide
CID 120900436
2-(aminomethyl)-N-[(2R,3S)-3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 124693506
2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 66377445
2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119754236
2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 119783818) is 2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is JEDDBKYBAYWRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-2-7-21(16(23)13-10-24-15(8-18)20-13)9-14(22)19-12-5-3-11(17)4-6-12/h3-6,10H,2,7-9,18H2,1H3,(H,19,22).
What are the key properties of 2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119783818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).