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

C20H18FN5O2S — CID 89469558

IUPAC(1-methylbenzotriazol-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)OCc2ccc3c(c2)nnn3C)s1
InChIInChI=1S/C20H18FN5O2S/c1-11-8-14(21)5-6-15(11)19-22-12(2)18(29-19)23-20(27)28-10-13-4-7-17-16(9-13)24-25-26(17)3/h4-9H,10H2,1-3H3,(H,23,27)
InChIKeyVANIBWPWDQEAKE-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.60
Rot. Bonds4

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

(1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89469558) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is (1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
PubChem CID89469558
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC Name(1-methylbenzotriazol-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)OCc2ccc3c(c2)nnn3C)s1
InChIInChI=1S/C20H18FN5O2S/c1-11-8-14(21)5-6-15(11)19-22-12(2)18(29-19)23-20(27)28-10-13-4-7-17-16(9-13)24-25-26(17)3/h4-9H,10H2,1-3H3,(H,23,27)
InChIKeyVANIBWPWDQEAKE-UHFFFAOYSA-N
XLogP4.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89469558) is (1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (1-methylbenzotriazol-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)OCc2ccc3c(c2)nnn3C)s1.
What is the InChIKey of (1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is VANIBWPWDQEAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c1-11-8-14(21)5-6-15(11)19-22-12(2)18(29-19)23-20(27)28-10-13-4-7-17-16(9-13)24-25-26(17)3/h4-9H,10H2,1-3H3,(H,23,27).
What are the key properties of (1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
(1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 411.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzotriazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).