(2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide

C14H23N3OS — CID 138022830

IUPAC(2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide
SMILESCC(C)[C@H](Nc1nccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3OS/c1-10(2)12(17-14-15-8-9-19-14)13(18)16-11-6-4-3-5-7-11/h8-12H,3-7H2,1-2H3,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyKROYPALSWSJGSG-LBPRGKRZSA-N
MW281.42 g/mol
LogP3.03
Rot. Bonds5

About (2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide

(2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide (PubChem CID 138022830) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide
PubChem CID138022830
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name(2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide
SMILESCC(C)[C@H](Nc1nccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3OS/c1-10(2)12(17-14-15-8-9-19-14)13(18)16-11-6-4-3-5-7-11/h8-12H,3-7H2,1-2H3,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyKROYPALSWSJGSG-LBPRGKRZSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide?
The IUPAC name of (2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide (CID 138022830) is (2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide?
The canonical SMILES for (2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide is CC(C)[C@H](Nc1nccs1)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide?
The InChIKey is KROYPALSWSJGSG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(2)12(17-14-15-8-9-19-14)13(18)16-11-6-4-3-5-7-11/h8-12H,3-7H2,1-2H3,(H,15,17)(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide?
(2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide has a molecular weight of 281.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-3-methyl-2-(1,3-thiazol-2-ylamino)butanamide is sourced from PubChem (CID 138022830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).