2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide

C12H21N3OS — CID 113308977

IUPAC2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide
SMILESCCC(CC)(CN)C(=O)NC(C)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-4-12(5-2,8-13)11(16)15-9(3)10-14-6-7-17-10/h6-7,9H,4-5,8,13H2,1-3H3,(H,15,16)
InChIKeyZWCQZUZALTWXNO-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.09
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide

2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 113308977) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID113308977
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide
SMILESCCC(CC)(CN)C(=O)NC(C)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-4-12(5-2,8-13)11(16)15-9(3)10-14-6-7-17-10/h6-7,9H,4-5,8,13H2,1-3H3,(H,15,16)
InChIKeyZWCQZUZALTWXNO-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]-2-ethylbutanamide
CID 115432411
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
1-[(1-ethylcyclobutyl)methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96535038
2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65224155
4,4-dimethyl-2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 107474465
ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate
CID 95979285
1-butyl-3-[1-(1,3-thiazol-2-yl)ethyl]thiourea
CID 115616247

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide (CID 113308977) is 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide is CCC(CC)(CN)C(=O)NC(C)c1nccs1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is ZWCQZUZALTWXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-12(5-2,8-13)11(16)15-9(3)10-14-6-7-17-10/h6-7,9H,4-5,8,13H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 255.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 113308977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).