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

C21H19FN4O3S — CID 89459564

IUPAC(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCOc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3nn(C)cc3c2)s1
InChIInChI=1S/C21H19FN4O3S/c1-12-19(30-20(23-12)16-6-5-15(22)9-18(16)28-3)24-21(27)29-11-13-4-7-17-14(8-13)10-26(2)25-17/h4-10H,11H2,1-3H3,(H,24,27)
InChIKeyDSXDHVIMQLBHIZ-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.90
Rot. Bonds5

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

(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89459564) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
PubChem CID89459564
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCOc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3nn(C)cc3c2)s1
InChIInChI=1S/C21H19FN4O3S/c1-12-19(30-20(23-12)16-6-5-15(22)9-18(16)28-3)24-21(27)29-11-13-4-7-17-14(8-13)10-26(2)25-17/h4-10H,11H2,1-3H3,(H,24,27)
InChIKeyDSXDHVIMQLBHIZ-UHFFFAOYSA-N
XLogP4.90
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89459564) is (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is COc1cc(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-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is DSXDHVIMQLBHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c1-12-19(30-20(23-12)16-6-5-15(22)9-18(16)28-3)24-21(27)29-11-13-4-7-17-14(8-13)10-26(2)25-17/h4-10H,11H2,1-3H3,(H,24,27).
What are the key properties of (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 426.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89459564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).