2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide

C13H23N3OS — CID 112702019

IUPAC2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
SMILESCc1cnc(C(C)NC(=O)C(CN)CC(C)C)s1
InChIInChI=1S/C13H23N3OS/c1-8(2)5-11(6-14)12(17)16-10(4)13-15-7-9(3)18-13/h7-8,10-11H,5-6,14H2,1-4H3,(H,16,17)
InChIKeyGCPHOJCMQRVUSG-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.25
Rot. Bonds6

About 2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide

2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide (PubChem CID 112702019) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
PubChem CID112702019
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
SMILESCc1cnc(C(C)NC(=O)C(CN)CC(C)C)s1
InChIInChI=1S/C13H23N3OS/c1-8(2)5-11(6-14)12(17)16-10(4)13-15-7-9(3)18-13/h7-8,10-11H,5-6,14H2,1-4H3,(H,16,17)
InChIKeyGCPHOJCMQRVUSG-UHFFFAOYSA-N
XLogP2.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 119898142
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989
3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 119898098
(2S)-2-amino-3,3-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119898119
4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 82110975
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
CID 115680005
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 81359365
2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112702848
2-[(2-methylpropan-2-yl)oxy]-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112629805
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113251523
2-[[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 113387472

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide (CID 112702019) is 2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide is Cc1cnc(C(C)NC(=O)C(CN)CC(C)C)s1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide?
The InChIKey is GCPHOJCMQRVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-8(2)5-11(6-14)12(17)16-10(4)13-15-7-9(3)18-13/h7-8,10-11H,5-6,14H2,1-4H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide?
2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide has a molecular weight of 269.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 112702019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).