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

C11H18N2S — CID 105464488

IUPAC5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1sc(C2CCNC2)nc1C(C)C
InChIInChI=1S/C11H18N2S/c1-7(2)10-8(3)14-11(13-10)9-4-5-12-6-9/h7,9,12H,4-6H2,1-3H3
InChIKeyROELFCRFBOYWOF-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.65
Rot. Bonds2

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

5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 105464488) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole
PubChem CID105464488
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1sc(C2CCNC2)nc1C(C)C
InChIInChI=1S/C11H18N2S/c1-7(2)10-8(3)14-11(13-10)9-4-5-12-6-9/h7,9,12H,4-6H2,1-3H3
InChIKeyROELFCRFBOYWOF-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034156
5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 84795505
5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 84775884
4-methyl-2-pyrrolidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 121199781
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
4-methyl-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 79146802
2-(azetidin-3-yl)-4-cyclopropyl-5-methyl-1,3-thiazole
CID 105448610
5-(2-methylpropyl)-4-propan-2-yl-2-pyrrolidin-3-yl-1H-imidazole
CID 105497006
5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole
CID 105462175
2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
CID 115042250
4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole
CID 62540371

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole (CID 105464488) is 5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole is Cc1sc(C2CCNC2)nc1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is ROELFCRFBOYWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7(2)10-8(3)14-11(13-10)9-4-5-12-6-9/h7,9,12H,4-6H2,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole?
5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 210.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 105464488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).