(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate

C21H19FN4O2S — CID 89459572

IUPAC(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3nn(C)cc3c2)s1
InChIInChI=1S/C21H19FN4O2S/c1-12-8-16(22)5-6-17(12)20-23-13(2)19(29-20)24-21(27)28-11-14-4-7-18-15(9-14)10-26(3)25-18/h4-10H,11H2,1-3H3,(H,24,27)
InChIKeyMXANECQOZSNKDG-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.20
Rot. Bonds4

About (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate

(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89459572) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
PubChem CID89459572
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3nn(C)cc3c2)s1
InChIInChI=1S/C21H19FN4O2S/c1-12-8-16(22)5-6-17(12)20-23-13(2)19(29-20)24-21(27)28-11-14-4-7-18-15(9-14)10-26(3)25-18/h4-10H,11H2,1-3H3,(H,24,27)
InChIKeyMXANECQOZSNKDG-UHFFFAOYSA-N
XLogP5.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469572
(1-methylbenzimidazol-5-yl)methyl N-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469503
(2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459581
(1-methylbenzotriazol-5-yl)methyl N-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469505
(1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469843
(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)methyl N-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459540
(1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469506
(1-ethylbenzimidazol-5-yl)methyl N-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469592
(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469741
ethyl 2-(2-methylindazol-5-yl)acetate
CID 155343728
[[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol
CID 134315732
3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate
CID 89459620

Frequently Asked Questions

What is the IUPAC name of (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89459572) is (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is Cc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3nn(C)cc3c2)s1.
What is the InChIKey of (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is MXANECQOZSNKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-12-8-16(22)5-6-17(12)20-23-13(2)19(29-20)24-21(27)28-11-14-4-7-18-15(9-14)10-26(3)25-18/h4-10H,11H2,1-3H3,(H,24,27).
What are the key properties of (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 410.47 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89459572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).