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

C13H14N6S2 — CID 72866046

IUPAC2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole
SMILESc1csc(-c2cn(Cc3csc(N4CCCC4)n3)nn2)n1
InChIInChI=1S/C13H14N6S2/c1-2-5-18(4-1)13-15-10(9-21-13)7-19-8-11(16-17-19)12-14-3-6-20-12/h3,6,8-9H,1-2,4-5,7H2
InChIKeySULDTDXURZICSR-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.51
Rot. Bonds4

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

2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole (PubChem CID 72866046) has the molecular formula C13H14N6S2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole
PubChem CID72866046
Molecular FormulaC13H14N6S2
Molecular Weight318.43 g/mol
Exact Mass318.07
IUPAC Name2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole
SMILESc1csc(-c2cn(Cc3csc(N4CCCC4)n3)nn2)n1
InChIInChI=1S/C13H14N6S2/c1-2-5-18(4-1)13-15-10(9-21-13)7-19-8-11(16-17-19)12-14-3-6-20-12/h3,6,8-9H,1-2,4-5,7H2
InChIKeySULDTDXURZICSR-UHFFFAOYSA-N
XLogP2.51
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole (CID 72866046) is 2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole is c1csc(-c2cn(Cc3csc(N4CCCC4)n3)nn2)n1.
What is the InChIKey of 2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is SULDTDXURZICSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S2/c1-2-5-18(4-1)13-15-10(9-21-13)7-19-8-11(16-17-19)12-14-3-6-20-12/h3,6,8-9H,1-2,4-5,7H2.
What are the key properties of 2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole?
2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 318.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 72866046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).