4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole

C27H32N6S — CID 10344755

IUPAC4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole
SMILESCc1nc(-c2c3n(c4c(N5CCN(CCc6ccccc6)CC5)ncnc24)CCCC3)sc1C
InChIInChI=1S/C27H32N6S/c1-19-20(2)34-27(30-19)23-22-10-6-7-12-33(22)25-24(23)28-18-29-26(25)32-16-14-31(15-17-32)13-11-21-8-4-3-5-9-21/h3-5,8-9,18H,6-7,10-17H2,1-2H3
InChIKeyQRCGJSMPOQYGMN-UHFFFAOYSA-N
MW472.66 g/mol
LogP4.87
Rot. Bonds5

About 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole

4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole (PubChem CID 10344755) has the molecular formula C27H32N6S and a molecular weight of 472.66 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole
PubChem CID10344755
Molecular FormulaC27H32N6S
Molecular Weight472.66 g/mol
Exact Mass472.24
IUPAC Name4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole
SMILESCc1nc(-c2c3n(c4c(N5CCN(CCc6ccccc6)CC5)ncnc24)CCCC3)sc1C
InChIInChI=1S/C27H32N6S/c1-19-20(2)34-27(30-19)23-22-10-6-7-12-33(22)25-24(23)28-18-29-26(25)32-16-14-31(15-17-32)13-11-21-8-4-3-5-9-21/h3-5,8-9,18H,6-7,10-17H2,1-2H3
InChIKeyQRCGJSMPOQYGMN-UHFFFAOYSA-N
XLogP4.87
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.66
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole (CID 10344755) is 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole is Cc1nc(-c2c3n(c4c(N5CCN(CCc6ccccc6)CC5)ncnc24)CCCC3)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole?
The InChIKey is QRCGJSMPOQYGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6S/c1-19-20(2)34-27(30-19)23-22-10-6-7-12-33(22)25-24(23)28-18-29-26(25)32-16-14-31(15-17-32)13-11-21-8-4-3-5-9-21/h3-5,8-9,18H,6-7,10-17H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole?
4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole has a molecular weight of 472.66 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-[4-(2-phenylethyl)piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole is sourced from PubChem (CID 10344755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).