4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole

C8H12N2S — CID 93492448

IUPAC4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
SMILESCc1csc([C@@H]2CCNC2)n1
InChIInChI=1S/C8H12N2S/c1-6-5-11-8(10-6)7-2-3-9-4-7/h5,7,9H,2-4H2,1H3/t7-/m1/s1
InChIKeyACPQVAZLVXNZMH-SSDOTTSWSA-N
MW168.26 g/mol
LogP1.53
Rot. Bonds1

About 4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole

4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole (PubChem CID 93492448) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
PubChem CID93492448
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
SMILESCc1csc([C@@H]2CCNC2)n1
InChIInChI=1S/C8H12N2S/c1-6-5-11-8(10-6)7-2-3-9-4-7/h5,7,9H,2-4H2,1H3/t7-/m1/s1
InChIKeyACPQVAZLVXNZMH-SSDOTTSWSA-N
XLogP1.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 84786149
4-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 84783502
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742
N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine
CID 115087748
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63030798
4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 110095024
2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 62795975
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole (CID 93492448) is 4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole is Cc1csc([C@@H]2CCNC2)n1.
What is the InChIKey of 4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole?
The InChIKey is ACPQVAZLVXNZMH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-5-11-8(10-6)7-2-3-9-4-7/h5,7,9H,2-4H2,1H3/t7-/m1/s1.
What are the key properties of 4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole?
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole has a molecular weight of 168.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 93492448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).