4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole

C16H27N3S — CID 59057944

IUPAC4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole
SMILESCc1c(C(C)C)nsc1N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H27N3S/c1-12(2)15-13(3)16(20-17-15)19-10-6-14(7-11-19)18-8-4-5-9-18/h12,14H,4-11H2,1-3H3
InChIKeyBBOOQTHBTKJGRN-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.64
Rot. Bonds3

About 4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole

4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole (PubChem CID 59057944) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole
PubChem CID59057944
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole
SMILESCc1c(C(C)C)nsc1N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H27N3S/c1-12(2)15-13(3)16(20-17-15)19-10-6-14(7-11-19)18-8-4-5-9-18/h12,14H,4-11H2,1-3H3
InChIKeyBBOOQTHBTKJGRN-UHFFFAOYSA-N
XLogP3.64
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole?
The IUPAC name of 4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole (CID 59057944) is 4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole.
What is the SMILES notation for 4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole?
The canonical SMILES for 4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole is Cc1c(C(C)C)nsc1N1CCC(N2CCCC2)CC1.
What is the InChIKey of 4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole?
The InChIKey is BBOOQTHBTKJGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12(2)15-13(3)16(20-17-15)19-10-6-14(7-11-19)18-8-4-5-9-18/h12,14H,4-11H2,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole?
4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole has a molecular weight of 293.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,2-thiazole is sourced from PubChem (CID 59057944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).