(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide

C9H13N3O2S — CID 20712410

IUPAC(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
SMILESC[C@H](CC(N)=O)CC(=O)Nc1nccs1
InChIInChI=1S/C9H13N3O2S/c1-6(4-7(10)13)5-8(14)12-9-11-2-3-15-9/h2-3,6H,4-5H2,1H3,(H2,10,13)(H,11,12,14)/t6-/m1/s1
InChIKeyZECTVVYMBCLCAN-ZCFIWIBFSA-N
MW227.29 g/mol
LogP0.98
Rot. Bonds5

About (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide

(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide (PubChem CID 20712410) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide.

Molecular Properties

Compound Name(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
PubChem CID20712410
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
SMILESC[C@H](CC(N)=O)CC(=O)Nc1nccs1
InChIInChI=1S/C9H13N3O2S/c1-6(4-7(10)13)5-8(14)12-9-11-2-3-15-9/h2-3,6H,4-5H2,1H3,(H2,10,13)(H,11,12,14)/t6-/m1/s1
InChIKeyZECTVVYMBCLCAN-ZCFIWIBFSA-N
XLogP0.98
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide 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

5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
2-(3-amino-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66224258
1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82506108
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66104229
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
3-(2-methylhydrazinyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 129281286
(3S)-N-[(2R)-butan-2-yl]-3,5,5-trimethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
CID 7350033
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 7746408

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide?
The IUPAC name of (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide (CID 20712410) is (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide.
What is the SMILES notation for (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide?
The canonical SMILES for (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide is C[C@H](CC(N)=O)CC(=O)Nc1nccs1.
What is the InChIKey of (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide?
The InChIKey is ZECTVVYMBCLCAN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6(4-7(10)13)5-8(14)12-9-11-2-3-15-9/h2-3,6H,4-5H2,1H3,(H2,10,13)(H,11,12,14)/t6-/m1/s1.
What are the key properties of (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide?
(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide has a molecular weight of 227.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide is sourced from PubChem (CID 20712410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).