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

C13H15N3OS — CID 110717816

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2csc(N)n2)c1
InChIInChI=1S/C13H15N3OS/c1-9-3-2-4-10(7-9)12(17)15-6-5-11-8-18-13(14)16-11/h2-4,7-8H,5-6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyBUGFBVKPBQTOOQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.01
Rot. Bonds4

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

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide (PubChem CID 110717816) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
PubChem CID110717816
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2csc(N)n2)c1
InChIInChI=1S/C13H15N3OS/c1-9-3-2-4-10(7-9)12(17)15-6-5-11-8-18-13(14)16-11/h2-4,7-8H,5-6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyBUGFBVKPBQTOOQ-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110717883
3-methyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398163
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 119062037
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106035352
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(3-fluorophenyl)benzamide
CID 131899873
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4-hydroxyphenyl)benzamide
CID 119071037
3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7552633
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50973098
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide (CID 110717816) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCc2csc(N)n2)c1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide?
The InChIKey is BUGFBVKPBQTOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-3-2-4-10(7-9)12(17)15-6-5-11-8-18-13(14)16-11/h2-4,7-8H,5-6H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide has a molecular weight of 261.35 g/mol, XLogP of 2.01, 4 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]-3-methylbenzamide is sourced from PubChem (CID 110717816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).