[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

C17H18N6OS — CID 120728859

IUPAC[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCn1cc(-c2ncc(C(=O)N3CCNCC3c3cccnc3)s2)cn1
InChIInChI=1S/C17H18N6OS/c1-22-11-13(8-21-22)16-20-10-15(25-16)17(24)23-6-5-19-9-14(23)12-3-2-4-18-7-12/h2-4,7-8,10-11,14,19H,5-6,9H2,1H3
InChIKeyUAMHCJRRSHATKD-UHFFFAOYSA-N
MW354.44 g/mol
LogP1.73
Rot. Bonds3

About [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120728859) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120728859
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCn1cc(-c2ncc(C(=O)N3CCNCC3c3cccnc3)s2)cn1
InChIInChI=1S/C17H18N6OS/c1-22-11-13(8-21-22)16-20-10-15(25-16)17(24)23-6-5-19-9-14(23)12-3-2-4-18-7-12/h2-4,7-8,10-11,14,19H,5-6,9H2,1H3
InChIKeyUAMHCJRRSHATKD-UHFFFAOYSA-N
XLogP1.73
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730375
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731331
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729251
(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731166
(4-bromothiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731046
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120728859) is [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cn1cc(-c2ncc(C(=O)N3CCNCC3c3cccnc3)s2)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is UAMHCJRRSHATKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-22-11-13(8-21-22)16-20-10-15(25-16)17(24)23-6-5-19-9-14(23)12-3-2-4-18-7-12/h2-4,7-8,10-11,14,19H,5-6,9H2,1H3.
What are the key properties of [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 354.44 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120728859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).