N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide

C14H17N3OS — CID 110717883

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCc2csc(N)n2)c1
InChIInChI=1S/C14H17N3OS/c1-10-3-2-4-11(7-10)8-13(18)16-6-5-12-9-19-14(15)17-12/h2-4,7,9H,5-6,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXIIUKWNQAPKNMJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.94
Rot. Bonds5

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

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 110717883) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
PubChem CID110717883
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCc2csc(N)n2)c1
InChIInChI=1S/C14H17N3OS/c1-10-3-2-4-11(7-10)8-13(18)16-6-5-12-9-19-14(15)17-12/h2-4,7,9H,5-6,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXIIUKWNQAPKNMJ-UHFFFAOYSA-N
XLogP1.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 90570906
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 110483661
2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7287530
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 119062037
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-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016
2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide
CID 110711140

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide (CID 110717883) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCc2csc(N)n2)c1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is XIIUKWNQAPKNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-3-2-4-11(7-10)8-13(18)16-6-5-12-9-19-14(15)17-12/h2-4,7,9H,5-6,8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 275.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 110717883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).