2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole

C18H24N6S — CID 126893855

IUPAC2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
SMILESc1cnc(N2CCN(C3CN(Cc4csc(C5CC5)n4)C3)CC2)nc1
InChIInChI=1S/C18H24N6S/c1-4-19-18(20-5-1)24-8-6-23(7-9-24)16-11-22(12-16)10-15-13-25-17(21-15)14-2-3-14/h1,4-5,13-14,16H,2-3,6-12H2
InChIKeyBOTZODABPVATJT-UHFFFAOYSA-N
MW356.50 g/mol
LogP1.82
Rot. Bonds5

About 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole

2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole (PubChem CID 126893855) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
PubChem CID126893855
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
SMILESc1cnc(N2CCN(C3CN(Cc4csc(C5CC5)n4)C3)CC2)nc1
InChIInChI=1S/C18H24N6S/c1-4-19-18(20-5-1)24-8-6-23(7-9-24)16-11-22(12-16)10-15-13-25-17(21-15)14-2-3-14/h1,4-5,13-14,16H,2-3,6-12H2
InChIKeyBOTZODABPVATJT-UHFFFAOYSA-N
XLogP1.82
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893944
2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 126900196
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893977
1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
CID 126893933
2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
2-cyclopropyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893499
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126893918
5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893851
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126893915
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]benzonitrile
CID 126893849
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126893848
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole (CID 126893855) is 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole is c1cnc(N2CCN(C3CN(Cc4csc(C5CC5)n4)C3)CC2)nc1.
What is the InChIKey of 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BOTZODABPVATJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-4-19-18(20-5-1)24-8-6-23(7-9-24)16-11-22(12-16)10-15-13-25-17(21-15)14-2-3-14/h1,4-5,13-14,16H,2-3,6-12H2.
What are the key properties of 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole?
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 356.50 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 126893855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).