(2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C13H21N3OS — CID 164637473

IUPAC(2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@@H](N)CC2CCCCC2)n1
InChIInChI=1S/C13H21N3OS/c1-9-8-18-13(15-9)16-12(17)11(14)7-10-5-3-2-4-6-10/h8,10-11H,2-7,14H2,1H3,(H,15,16,17)/t11-/m0/s1
InChIKeyOXVXFSVQTNIBGN-NSHDSACASA-N
MW267.40 g/mol
LogP2.69
Rot. Bonds4

About (2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

(2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 164637473) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID164637473
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@@H](N)CC2CCCCC2)n1
InChIInChI=1S/C13H21N3OS/c1-9-8-18-13(15-9)16-12(17)11(14)7-10-5-3-2-4-6-10/h8,10-11H,2-7,14H2,1H3,(H,15,16,17)/t11-/m0/s1
InChIKeyOXVXFSVQTNIBGN-NSHDSACASA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 164637473) is (2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)[C@@H](N)CC2CCCCC2)n1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is OXVXFSVQTNIBGN-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-8-18-13(15-9)16-12(17)11(14)7-10-5-3-2-4-6-10/h8,10-11H,2-7,14H2,1H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 267.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 164637473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).