5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole

C12H14N4S — CID 141207736

IUPAC5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESc1cnc(C2CCN(Cc3cncs3)C2)nc1
InChIInChI=1S/C12H14N4S/c1-3-14-12(15-4-1)10-2-5-16(7-10)8-11-6-13-9-17-11/h1,3-4,6,9-10H,2,5,7-8H2
InChIKeyNGWAUTWOSNLNBM-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.92
Rot. Bonds3

About 5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole

5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole (PubChem CID 141207736) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
PubChem CID141207736
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESc1cnc(C2CCN(Cc3cncs3)C2)nc1
InChIInChI=1S/C12H14N4S/c1-3-14-12(15-4-1)10-2-5-16(7-10)8-11-6-13-9-17-11/h1,3-4,6,9-10H,2,5,7-8H2
InChIKeyNGWAUTWOSNLNBM-UHFFFAOYSA-N
XLogP1.92
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125012821
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 172891886
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125023271
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487
N,N-dimethyl-3-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110090980
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131925255
N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
CID 124942827
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 112641611
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
5-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125014855

Frequently Asked Questions

What is the IUPAC name of 5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole (CID 141207736) is 5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole is c1cnc(C2CCN(Cc3cncs3)C2)nc1.
What is the InChIKey of 5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is NGWAUTWOSNLNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-3-14-12(15-4-1)10-2-5-16(7-10)8-11-6-13-9-17-11/h1,3-4,6,9-10H,2,5,7-8H2.
What are the key properties of 5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 246.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 141207736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).