[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

C20H22N4OS — CID 119834689

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESNCc1nc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cs1
InChIInChI=1S/C20H22N4OS/c21-12-19-22-18(14-26-19)20(25)24-10-8-23(9-11-24)13-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,14H,8-13,21H2
InChIKeyVLUJHSANBFTPGM-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.71
Rot. Bonds4

About [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (PubChem CID 119834689) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
PubChem CID119834689
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESNCc1nc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cs1
InChIInChI=1S/C20H22N4OS/c21-12-19-22-18(14-26-19)20(25)24-10-8-23(9-11-24)13-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,14H,8-13,21H2
InChIKeyVLUJHSANBFTPGM-UHFFFAOYSA-N
XLogP2.71
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66375906
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 119853363
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 32854385
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 119857678
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119838905
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 119860162
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119855927
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 119710424
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119828205
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 120615804
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120640116

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (CID 119834689) is [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is NCc1nc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is VLUJHSANBFTPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c21-12-19-22-18(14-26-19)20(25)24-10-8-23(9-11-24)13-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,14H,8-13,21H2.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 366.49 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119834689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).