5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide

C22H22FN7OS — CID 147621394

IUPAC5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2csc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C22H22FN7OS/c1-12(2)30-11-25-28-20(30)22-27-19(9-32-22)26-21(31)15-7-18(13(3)6-16(15)23)29-8-17(24-10-29)14-4-5-14/h6-12,14H,4-5H2,1-3H3,(H,26,31)
InChIKeyGDYACXSKJHZASN-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.75
Rot. Bonds6

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide (PubChem CID 147621394) has the molecular formula C22H22FN7OS and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide
PubChem CID147621394
Molecular FormulaC22H22FN7OS
Molecular Weight451.53 g/mol
Exact Mass451.16
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2csc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C22H22FN7OS/c1-12(2)30-11-25-28-20(30)22-27-19(9-32-22)26-21(31)15-7-18(13(3)6-16(15)23)29-8-17(24-10-29)14-4-5-14/h6-12,14H,4-5H2,1-3H3,(H,26,31)
InChIKeyGDYACXSKJHZASN-UHFFFAOYSA-N
XLogP4.75
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide with MolForge

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Related Compounds

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
(E)-but-2-enedioic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 121439236
4-chloro-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 153293852
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 71245263
5-benzyl-2-cyclopropyl-8-fluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-4,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-9-carboxamide
CID 139310112
N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 134533118
4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 140945206
5-(2-cyclopropyl-2-oxoethyl)-2-fluoro-4-methyl-N-[2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]benzamide;sulfane
CID 158051191
2-(benzylamino)-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 153293844
5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 142472118
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide
CID 142472165
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[1-[(2S)-1-fluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]-4-methylbenzamide
CID 158056694

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide (CID 147621394) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide is Cc1cc(F)c(C(=O)Nc2csc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide?
The InChIKey is GDYACXSKJHZASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7OS/c1-12(2)30-11-25-28-20(30)22-27-19(9-32-22)26-21(31)15-7-18(13(3)6-16(15)23)29-8-17(24-10-29)14-4-5-14/h6-12,14H,4-5H2,1-3H3,(H,26,31).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide?
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide has a molecular weight of 451.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 147621394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).