2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide

C13H21N3OS — CID 112702025

IUPAC2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2CCCCC2N)s1
InChIInChI=1S/C13H21N3OS/c1-8-7-15-13(18-8)9(2)16-12(17)10-5-3-4-6-11(10)14/h7,9-11H,3-6,14H2,1-2H3,(H,16,17)
InChIKeyCIYYORUXVMRVMA-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.15
Rot. Bonds3

About 2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide

2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 112702025) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID112702025
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2CCCCC2N)s1
InChIInChI=1S/C13H21N3OS/c1-8-7-15-13(18-8)9(2)16-12(17)10-5-3-4-6-11(10)14/h7,9-11H,3-6,14H2,1-2H3,(H,16,17)
InChIKeyCIYYORUXVMRVMA-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112702007
2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112702848
1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111840983
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
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CID 81407618
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408900
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
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CID 103814989
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
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(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 120942677
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide (CID 112702025) is 2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide is Cc1cnc(C(C)NC(=O)C2CCCCC2N)s1.
What is the InChIKey of 2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is CIYYORUXVMRVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8-7-15-13(18-8)9(2)16-12(17)10-5-3-4-6-11(10)14/h7,9-11H,3-6,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 112702025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).