[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone

C16H24N4O2S — CID 119755496

IUPAC[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone
SMILESNCc1nc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cs1
InChIInChI=1S/C16H24N4O2S/c17-10-14-18-13(11-23-14)16(22)20-8-6-19(7-9-20)15(21)12-4-2-1-3-5-12/h11-12H,1-10,17H2
InChIKeyJNNPKYGQSGQXKJ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.47
Rot. Bonds3

About [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone

[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone (PubChem CID 119755496) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone
PubChem CID119755496
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone
SMILESNCc1nc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cs1
InChIInChI=1S/C16H24N4O2S/c17-10-14-18-13(11-23-14)16(22)20-8-6-19(7-9-20)15(21)12-4-2-1-3-5-12/h11-12H,1-10,17H2
InChIKeyJNNPKYGQSGQXKJ-UHFFFAOYSA-N
XLogP1.47
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119855927
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 66375876
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethenylpiperidin-1-yl)methanone
CID 119783247
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
[2-(aminomethyl)-1,3-thiazol-4-yl]-(8-azaspiro[4.5]decan-8-yl)methanone
CID 66379254
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598
[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 119798418
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone
CID 66375737

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone (CID 119755496) is [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone is NCc1nc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cs1.
What is the InChIKey of [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is JNNPKYGQSGQXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c17-10-14-18-13(11-23-14)16(22)20-8-6-19(7-9-20)15(21)12-4-2-1-3-5-12/h11-12H,1-10,17H2.
What are the key properties of [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone?
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 336.46 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 119755496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).