3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide

C14H16ClN3OS — CID 110330138

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESNc1nc(CCC(=O)NCCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H16ClN3OS/c15-11-3-1-10(2-4-11)7-8-17-13(19)6-5-12-9-20-14(16)18-12/h1-4,9H,5-8H2,(H2,16,18)(H,17,19)
InChIKeyGLTOQQNNCNVHAG-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.67
Rot. Bonds6

About 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 110330138) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
PubChem CID110330138
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESNc1nc(CCC(=O)NCCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H16ClN3OS/c15-11-3-1-10(2-4-11)7-8-17-13(19)6-5-12-9-20-14(16)18-12/h1-4,9H,5-8H2,(H2,16,18)(H,17,19)
InChIKeyGLTOQQNNCNVHAG-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62798218
3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 74249722
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 131951418
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide
CID 91785606
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide
CID 110330184
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 110330138) is 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide is Nc1nc(CCC(=O)NCCc2ccc(Cl)cc2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is GLTOQQNNCNVHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-11-3-1-10(2-4-11)7-8-17-13(19)6-5-12-9-20-14(16)18-12/h1-4,9H,5-8H2,(H2,16,18)(H,17,19).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 309.82 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 110330138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).