5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide

C22H18N6OS — CID 71213865

IUPAC5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide
SMILESCC1NN(c2ccccc2)N=C1C(=O)Nc1cccc(-c2nc3ccncc3s2)c1
InChIInChI=1S/C22H18N6OS/c1-14-20(27-28(26-14)17-8-3-2-4-9-17)21(29)24-16-7-5-6-15(12-16)22-25-18-10-11-23-13-19(18)30-22/h2-14,26H,1H3,(H,24,29)
InChIKeyUEPJNPINJZEQJC-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.07
Rot. Bonds4

About 5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide

5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide (PubChem CID 71213865) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide
PubChem CID71213865
Molecular FormulaC22H18N6OS
Molecular Weight414.49 g/mol
Exact Mass414.13
IUPAC Name5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide
SMILESCC1NN(c2ccccc2)N=C1C(=O)Nc1cccc(-c2nc3ccncc3s2)c1
InChIInChI=1S/C22H18N6OS/c1-14-20(27-28(26-14)17-8-3-2-4-9-17)21(29)24-16-7-5-6-15(12-16)22-25-18-10-11-23-13-19(18)30-22/h2-14,26H,1H3,(H,24,29)
InChIKeyUEPJNPINJZEQJC-UHFFFAOYSA-N
XLogP4.07
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 59680303
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CID 59679979
2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide
CID 143409048
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 59679841
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166
(E)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38041841
3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 34290939
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 2290422
(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1107338
S-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ethanethioate
CID 16949140
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 7096358

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide (CID 71213865) is 5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide is CC1NN(c2ccccc2)N=C1C(=O)Nc1cccc(-c2nc3ccncc3s2)c1.
What is the InChIKey of 5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide?
The InChIKey is UEPJNPINJZEQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS/c1-14-20(27-28(26-14)17-8-3-2-4-9-17)21(29)24-16-7-5-6-15(12-16)22-25-18-10-11-23-13-19(18)30-22/h2-14,26H,1H3,(H,24,29).
What are the key properties of 5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide?
5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide is sourced from PubChem (CID 71213865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).