2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole

C13H16N2S2 — CID 18941094

IUPAC2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole
SMILESCc1ccsc1-c1csc(C2CCN(C)C2)n1
InChIInChI=1S/C13H16N2S2/c1-9-4-6-16-12(9)11-8-17-13(14-11)10-3-5-15(2)7-10/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyBABCPEUTHNOBSV-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.60
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole

2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole (PubChem CID 18941094) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole
PubChem CID18941094
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole
SMILESCc1ccsc1-c1csc(C2CCN(C)C2)n1
InChIInChI=1S/C13H16N2S2/c1-9-4-6-16-12(9)11-8-17-13(14-11)10-3-5-15(2)7-10/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyBABCPEUTHNOBSV-UHFFFAOYSA-N
XLogP3.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole (CID 18941094) is 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole is Cc1ccsc1-c1csc(C2CCN(C)C2)n1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole?
The InChIKey is BABCPEUTHNOBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-9-4-6-16-12(9)11-8-17-13(14-11)10-3-5-15(2)7-10/h4,6,8,10H,3,5,7H2,1-2H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole?
2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole has a molecular weight of 264.42 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 18941094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).