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

C12H19N3S — CID 115042290

IUPAC4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESc1sc(CC2CCCN2)nc1C1CCNC1
InChIInChI=1S/C12H19N3S/c1-2-10(14-4-1)6-12-15-11(8-16-12)9-3-5-13-7-9/h8-10,13-14H,1-7H2
InChIKeyDFONRPMHHFXNEQ-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.51
Rot. Bonds3

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

4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 115042290) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID115042290
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESc1sc(CC2CCCN2)nc1C1CCNC1
InChIInChI=1S/C12H19N3S/c1-2-10(14-4-1)6-12-15-11(8-16-12)9-3-5-13-7-9/h8-10,13-14H,1-7H2
InChIKeyDFONRPMHHFXNEQ-UHFFFAOYSA-N
XLogP1.51
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034159
2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
CID 115042270
2-(azetidin-3-ylmethyl)-4-piperidin-4-yl-1,3-thiazole
CID 115042296
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796
3-(4-piperidin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 115035204
4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 83693596
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
2-bromo-4-pyrrolidin-3-yl-1,3-thiazole
CID 115039273
4-(5-bromothiophen-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 55084863
1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115088645
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 115042290) is 4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is c1sc(CC2CCCN2)nc1C1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is DFONRPMHHFXNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-10(14-4-1)6-12-15-11(8-16-12)9-3-5-13-7-9/h8-10,13-14H,1-7H2.
What are the key properties of 4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 115042290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).