N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C17H20ClN3O2S — CID 119617460

IUPACN-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESNCC(NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C17H20ClN3O2S/c18-12-3-5-14(6-4-12)23-9-17-20-13(10-24-17)7-16(22)21-15(8-19)11-1-2-11/h3-6,10-11,15H,1-2,7-9,19H2,(H,21,22)
InChIKeyASMFOTPZXCOVLA-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.77
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 119617460) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID119617460
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESNCC(NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C17H20ClN3O2S/c18-12-3-5-14(6-4-12)23-9-17-20-13(10-24-17)7-16(22)21-15(8-19)11-1-2-11/h3-6,10-11,15H,1-2,7-9,19H2,(H,21,22)
InChIKeyASMFOTPZXCOVLA-UHFFFAOYSA-N
XLogP2.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 55478764
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 34141754
(2S)-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 119359348
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119608769
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119428889
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 56560605
methyl 3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-(4-chlorophenyl)propanoate
CID 134041540
N-(1-aminopropan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584983
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18100503
1-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide
CID 78881305
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56578149
2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 119617460) is N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide is NCC(NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is ASMFOTPZXCOVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-12-3-5-14(6-4-12)23-9-17-20-13(10-24-17)7-16(22)21-15(8-19)11-1-2-11/h3-6,10-11,15H,1-2,7-9,19H2,(H,21,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 365.89 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 119617460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).