2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide

C13H21N3OS — CID 114127550

IUPAC2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
SMILESCC(CNC(=O)C1CCCCC1N)c1nccs1
InChIInChI=1S/C13H21N3OS/c1-9(13-15-6-7-18-13)8-16-12(17)10-4-2-3-5-11(10)14/h6-7,9-11H,2-5,8,14H2,1H3,(H,16,17)
InChIKeyXVFOTZATZSCKDR-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.88
Rot. Bonds4

About 2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide

2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 114127550) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
PubChem CID114127550
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
SMILESCC(CNC(=O)C1CCCCC1N)c1nccs1
InChIInChI=1S/C13H21N3OS/c1-9(13-15-6-7-18-13)8-16-12(17)10-4-2-3-5-11(10)14/h6-7,9-11H,2-5,8,14H2,1H3,(H,16,17)
InChIKeyXVFOTZATZSCKDR-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 64825025
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide
CID 114127532
1-[2-(1,3-thiazol-2-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128675
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide
CID 114127505
1-(2-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116579837
4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide
CID 91661725
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505728

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide (CID 114127550) is 2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide is CC(CNC(=O)C1CCCCC1N)c1nccs1.
What is the InChIKey of 2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is XVFOTZATZSCKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(13-15-6-7-18-13)8-16-12(17)10-4-2-3-5-11(10)14/h6-7,9-11H,2-5,8,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide?
2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114127550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).