2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide

C14H23N3OS — CID 119741882

IUPAC2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCC2CCCCCCC2)cs1
InChIInChI=1S/C14H23N3OS/c15-8-13-17-12(10-19-13)14(18)16-9-11-6-4-2-1-3-5-7-11/h10-11H,1-9,15H2,(H,16,18)
InChIKeyZTKZYSNEOIGMQV-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.69
Rot. Bonds4

About 2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 119741882) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID119741882
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCC2CCCCCCC2)cs1
InChIInChI=1S/C14H23N3OS/c15-8-13-17-12(10-19-13)14(18)16-9-11-6-4-2-1-3-5-7-11/h10-11H,1-9,15H2,(H,16,18)
InChIKeyZTKZYSNEOIGMQV-UHFFFAOYSA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119766803
2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375755
2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119782557
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 113267463
2-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119819583
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 122080623
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119897334

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide (CID 119741882) is 2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NCC2CCCCCCC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZTKZYSNEOIGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c15-8-13-17-12(10-19-13)14(18)16-9-11-6-4-2-1-3-5-7-11/h10-11H,1-9,15H2,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119741882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).