N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide

C12H10FN5OS — CID 2742953

IUPACN-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nn(C)c2cccc(F)c12
InChIInChI=1S/C12H10FN5OS/c1-6-10(20-17-15-6)12(19)14-11-9-7(13)4-3-5-8(9)18(2)16-11/h3-5H,1-2H3,(H,14,16,19)
InChIKeyDVVRYZGMMMGIEM-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.12
Rot. Bonds2

About N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide

N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 2742953) has the molecular formula C12H10FN5OS and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID2742953
Molecular FormulaC12H10FN5OS
Molecular Weight291.31 g/mol
Exact Mass291.06
IUPAC NameN-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nn(C)c2cccc(F)c12
InChIInChI=1S/C12H10FN5OS/c1-6-10(20-17-15-6)12(19)14-11-9-7(13)4-3-5-8(9)18(2)16-11/h3-5H,1-2H3,(H,14,16,19)
InChIKeyDVVRYZGMMMGIEM-UHFFFAOYSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide (CID 2742953) is N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1nn(C)c2cccc(F)c12.
What is the InChIKey of N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is DVVRYZGMMMGIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5OS/c1-6-10(20-17-15-6)12(19)14-11-9-7(13)4-3-5-8(9)18(2)16-11/h3-5H,1-2H3,(H,14,16,19).
What are the key properties of N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide?
N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 2742953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).