5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole

C13H22N2S — CID 135196945

IUPAC5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole
SMILESCC(C)c1cnc(CC(C)C2CCNC2)s1
InChIInChI=1S/C13H22N2S/c1-9(2)12-8-15-13(16-12)6-10(3)11-4-5-14-7-11/h8-11,14H,4-7H2,1-3H3
InChIKeyDUZSXSHEMLGPSN-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.05
Rot. Bonds4

About 5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole

5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole (PubChem CID 135196945) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole
PubChem CID135196945
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole
SMILESCC(C)c1cnc(CC(C)C2CCNC2)s1
InChIInChI=1S/C13H22N2S/c1-9(2)12-8-15-13(16-12)6-10(3)11-4-5-14-7-11/h8-11,14H,4-7H2,1-3H3
InChIKeyDUZSXSHEMLGPSN-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
5-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852
4,4-difluoro-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 176397657
2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole
CID 178480384
2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole
CID 178480392
2-Amino-ethyl-5-ter t-butylthiazole
CID 83846934
5-(Fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 84770124
5-(Fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 84775887
2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 84776928
3-[5-(2-Fluoropropan-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 84776931
5-(2-Fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 84783506
5-(Fluoromethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84783508

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
The IUPAC name of 5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole (CID 135196945) is 5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
The canonical SMILES for 5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole is CC(C)c1cnc(CC(C)C2CCNC2)s1.
What is the InChIKey of 5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
The InChIKey is DUZSXSHEMLGPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9(2)12-8-15-13(16-12)6-10(3)11-4-5-14-7-11/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole?
5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole has a molecular weight of 238.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(2-pyrrolidin-3-ylpropyl)-1,3-thiazole is sourced from PubChem (CID 135196945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).