(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide

C11H17N3OS — CID 79013354

IUPAC(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C11H17N3OS/c1-6(2)9(12)10(15)14-11-13-7-4-3-5-8(7)16-11/h6,9H,3-5,12H2,1-2H3,(H,13,14,15)/t9-/m1/s1
InChIKeyPQZVGLOPPAJZIY-SECBINFHSA-N
MW239.34 g/mol
LogP1.55
Rot. Bonds3

About (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide

(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide (PubChem CID 79013354) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide
PubChem CID79013354
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C11H17N3OS/c1-6(2)9(12)10(15)14-11-13-7-4-3-5-8(7)16-11/h6,9H,3-5,12H2,1-2H3,(H,13,14,15)/t9-/m1/s1
InChIKeyPQZVGLOPPAJZIY-SECBINFHSA-N
XLogP1.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119290962
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylpentanamide
CID 54963199
3-methyl-2-sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 107025752
(2S)-2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-methylpentanamide
CID 119743841
(2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)hexanamide
CID 94225182
(2S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(methanesulfonamido)propanamide
CID 94155244
2-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pentanamide
CID 119277043
2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide
CID 54968287
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanediamide;hydrochloride
CID 119955825
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119743818
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxypentanamide
CID 79192385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide (CID 79013354) is (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide?
The InChIKey is PQZVGLOPPAJZIY-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-6(2)9(12)10(15)14-11-13-7-4-3-5-8(7)16-11/h6,9H,3-5,12H2,1-2H3,(H,13,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide?
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide has a molecular weight of 239.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 79013354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).