1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

C12H15F2N7OS — CID 71972149

IUPAC1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCc1nc2n(n1)CCCC2NC(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C12H15F2N7OS/c1-2-7-16-9-6(4-3-5-21(9)20-7)15-11(22)17-12-19-18-10(23-12)8(13)14/h6,8H,2-5H2,1H3,(H2,15,17,19,22)
InChIKeyUTJVKGXNFWXCHZ-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.29
Rot. Bonds4

About 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (PubChem CID 71972149) has the molecular formula C12H15F2N7OS and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
PubChem CID71972149
Molecular FormulaC12H15F2N7OS
Molecular Weight343.36 g/mol
Exact Mass343.10
IUPAC Name1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCc1nc2n(n1)CCCC2NC(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C12H15F2N7OS/c1-2-7-16-9-6(4-3-5-21(9)20-7)15-11(22)17-12-19-18-10(23-12)8(13)14/h6,8H,2-5H2,1H3,(H2,15,17,19,22)
InChIKeyUTJVKGXNFWXCHZ-UHFFFAOYSA-N
XLogP2.29
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The IUPAC name of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (CID 71972149) is 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is CCc1nc2n(n1)CCCC2NC(=O)Nc1nnc(C(F)F)s1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The InChIKey is UTJVKGXNFWXCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N7OS/c1-2-7-16-9-6(4-3-5-21(9)20-7)15-11(22)17-12-19-18-10(23-12)8(13)14/h6,8H,2-5H2,1H3,(H2,15,17,19,22).
What are the key properties of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea has a molecular weight of 343.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is sourced from PubChem (CID 71972149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).