2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C19H23N7S — CID 165433794

IUPAC2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCc1cc(C)n(-c2cc(N3CCN(c4nc5c(s4)CCC5)CC3)ncn2)n1
InChIInChI=1S/C19H23N7S/c1-13-10-14(2)26(23-13)18-11-17(20-12-21-18)24-6-8-25(9-7-24)19-22-15-4-3-5-16(15)27-19/h10-12H,3-9H2,1-2H3
InChIKeyPZMZIRCZKBAVAG-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.55
Rot. Bonds3

About 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 165433794) has the molecular formula C19H23N7S and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID165433794
Molecular FormulaC19H23N7S
Molecular Weight381.51 g/mol
Exact Mass381.17
IUPAC Name2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCc1cc(C)n(-c2cc(N3CCN(c4nc5c(s4)CCC5)CC3)ncn2)n1
InChIInChI=1S/C19H23N7S/c1-13-10-14(2)26(23-13)18-11-17(20-12-21-18)24-6-8-25(9-7-24)19-22-15-4-3-5-16(15)27-19/h10-12H,3-9H2,1-2H3
InChIKeyPZMZIRCZKBAVAG-UHFFFAOYSA-N
XLogP2.55
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165433014
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916529
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 155974136
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 155976417
4-[4-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 165433099
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974055
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072478
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072487
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933117
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163346338
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 155942731

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 165433794) is 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is Cc1cc(C)n(-c2cc(N3CCN(c4nc5c(s4)CCC5)CC3)ncn2)n1.
What is the InChIKey of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is PZMZIRCZKBAVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7S/c1-13-10-14(2)26(23-13)18-11-17(20-12-21-18)24-6-8-25(9-7-24)19-22-15-4-3-5-16(15)27-19/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 381.51 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 165433794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).