N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

C12H19N3OS — CID 28803745

IUPACN-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESNCCc1csc(NC(=O)C2CCCCC2)n1
InChIInChI=1S/C12H19N3OS/c13-7-6-10-8-17-12(14-10)15-11(16)9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H,14,15,16)
InChIKeySFGDSCYUSUIQDM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds4

About N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 28803745) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID28803745
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESNCCc1csc(NC(=O)C2CCCCC2)n1
InChIInChI=1S/C12H19N3OS/c13-7-6-10-8-17-12(14-10)15-11(16)9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H,14,15,16)
InChIKeySFGDSCYUSUIQDM-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
4-(2-aminoethyl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 28710824
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830465
N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 59870815
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
1-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41228231
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 51083310

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 28803745) is N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is NCCc1csc(NC(=O)C2CCCCC2)n1.
What is the InChIKey of N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is SFGDSCYUSUIQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-7-6-10-8-17-12(14-10)15-11(16)9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H,14,15,16).
What are the key properties of N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 28803745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).