[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone

C18H20N6OS — CID 51304636

IUPAC[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCc1nc(CN2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cs1
InChIInChI=1S/C18H20N6OS/c1-14-20-15(13-26-14)12-22-7-9-23(10-8-22)18(25)17-11-19-24(21-17)16-5-3-2-4-6-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyNLPYVHRDYNVHAU-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.99
Rot. Bonds4

About [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 51304636) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID51304636
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCc1nc(CN2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cs1
InChIInChI=1S/C18H20N6OS/c1-14-20-15(13-26-14)12-22-7-9-23(10-8-22)18(25)17-11-19-24(21-17)16-5-3-2-4-6-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyNLPYVHRDYNVHAU-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 55683750
(3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470610
2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 51308016
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119399469
6-methyl-2-[2-[4-(2-phenyltriazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126855869
(1-benzoylpiperidin-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 23823635
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 46969503
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 38470224
(2S)-2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;trihydrochloride
CID 119399480
(1,5-dimethylpyrazol-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 86893709
(3,4-dimethylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51308012
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54872835

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 51304636) is [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is Cc1nc(CN2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cs1.
What is the InChIKey of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is NLPYVHRDYNVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-14-20-15(13-26-14)12-22-7-9-23(10-8-22)18(25)17-11-19-24(21-17)16-5-3-2-4-6-16/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 368.47 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 51304636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).