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

C18H24N6S — CID 165433014

IUPAC2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1nc(N2CCCC2)cc(N2CCN(c3nc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C18H24N6S/c1-2-7-22(6-1)16-12-17(20-13-19-16)23-8-10-24(11-9-23)18-21-14-4-3-5-15(14)25-18/h12-13H,1-11H2
InChIKeyMFFRPHZRBHDNSH-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.35
Rot. Bonds3

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

2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 165433014) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID165433014
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1nc(N2CCCC2)cc(N2CCN(c3nc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C18H24N6S/c1-2-7-22(6-1)16-12-17(20-13-19-16)23-8-10-24(11-9-23)18-21-14-4-3-5-15(14)25-18/h12-13H,1-11H2
InChIKeyMFFRPHZRBHDNSH-UHFFFAOYSA-N
XLogP2.35
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-[4-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 165433099
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 171335389
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid
CID 82167561
2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 126893609
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 82167562
4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888677
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 175863191

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 165433014) is 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is c1nc(N2CCCC2)cc(N2CCN(c3nc4c(s3)CCC4)CC2)n1.
What is the InChIKey of 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is MFFRPHZRBHDNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-2-7-22(6-1)16-12-17(20-13-19-16)23-8-10-24(11-9-23)18-21-14-4-3-5-15(14)25-18/h12-13H,1-11H2.
What are the key properties of 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 356.50 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 165433014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).