4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole

C11H18N2S — CID 105464499

IUPAC4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCC(C)c1csc(CC2CCNC2)n1
InChIInChI=1S/C11H18N2S/c1-8(2)10-7-14-11(13-10)5-9-3-4-12-6-9/h7-9,12H,3-6H2,1-2H3
InChIKeyZZVYINGFMFQVTP-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.42
Rot. Bonds3

About 4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole

4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole (PubChem CID 105464499) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
PubChem CID105464499
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCC(C)c1csc(CC2CCNC2)n1
InChIInChI=1S/C11H18N2S/c1-8(2)10-7-14-11(13-10)5-9-3-4-12-6-9/h7-9,12H,3-6H2,1-2H3
InChIKeyZZVYINGFMFQVTP-UHFFFAOYSA-N
XLogP2.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115087963
1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol
CID 115088902
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088128
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115088115
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088010
4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 84792291
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115087985
4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 116968773
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119897431
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
N-methyl-3-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088028
2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034159

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole (CID 105464499) is 4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole is CC(C)c1csc(CC2CCNC2)n1.
What is the InChIKey of 4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is ZZVYINGFMFQVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)10-7-14-11(13-10)5-9-3-4-12-6-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 210.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 105464499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).