N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide

C13H21N3OS — CID 61282582

IUPACN-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCc1ncc(CNCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-10-15-8-12(18-10)7-14-9-13(17)16-11-5-3-2-4-6-11/h8,11,14H,2-7,9H2,1H3,(H,16,17)
InChIKeyFPQALIBODGJDIW-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.99
Rot. Bonds5

About N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide

N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide (PubChem CID 61282582) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
PubChem CID61282582
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCc1ncc(CNCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-10-15-8-12(18-10)7-14-9-13(17)16-11-5-3-2-4-6-11/h8,11,14H,2-7,9H2,1H3,(H,16,17)
InChIKeyFPQALIBODGJDIW-UHFFFAOYSA-N
XLogP1.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide (CID 61282582) is N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide is Cc1ncc(CNCC(=O)NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The InChIKey is FPQALIBODGJDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-15-8-12(18-10)7-14-9-13(17)16-11-5-3-2-4-6-11/h8,11,14H,2-7,9H2,1H3,(H,16,17).
What are the key properties of N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 61282582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).