5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C20H19F2N5O3S2 — CID 71261916

IUPAC5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1CCC(Oc2sncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)CC1
InChIInChI=1S/C20H19F2N5O3S2/c21-11-2-1-3-12(22)14(11)19-27-15(17(24)31-19)18(29)26-13-8-25-32-20(13)30-10-6-4-9(5-7-10)16(23)28/h1-3,8-10H,4-7,24H2,(H2,23,28)(H,26,29)
InChIKeyJIYUJDJZMWYQQK-UHFFFAOYSA-N
MW479.53 g/mol
LogP3.80
Rot. Bonds6

About 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71261916) has the molecular formula C20H19F2N5O3S2 and a molecular weight of 479.53 g/mol. Its IUPAC name is 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID71261916
Molecular FormulaC20H19F2N5O3S2
Molecular Weight479.53 g/mol
Exact Mass479.09
IUPAC Name5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1CCC(Oc2sncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)CC1
InChIInChI=1S/C20H19F2N5O3S2/c21-11-2-1-3-12(22)14(11)19-27-15(17(24)31-19)18(29)26-13-8-25-32-20(13)30-10-6-4-9(5-7-10)16(23)28/h1-3,8-10H,4-7,24H2,(H2,23,28)(H,26,29)
InChIKeyJIYUJDJZMWYQQK-UHFFFAOYSA-N
XLogP3.80
TPSA133.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744038
3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 71261811
3-amino-N-[5-(azepan-4-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717936
6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride
CID 126744026
5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 58464820
5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 123742933
5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane
CID 145420311
5-amino-2-(2,6-difluorophenyl)-N-[5-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58465084
5-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482333
5-amino-2-(2,6-difluorophenyl)-N-[5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 67437258
5-amino-2-(2,6-difluorophenyl)-N-[5-[(3S)-3-fluoropyrrolidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464735
5-amino-2-(2,6-difluorophenyl)-N-[5-(4-methoxycyclohepten-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 123850623

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 71261916) is 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)C1CCC(Oc2sncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)CC1.
What is the InChIKey of 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JIYUJDJZMWYQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3S2/c21-11-2-1-3-12(22)14(11)19-27-15(17(24)31-19)18(29)26-13-8-25-32-20(13)30-10-6-4-9(5-7-10)16(23)28/h1-3,8-10H,4-7,24H2,(H2,23,28)(H,26,29).
What are the key properties of 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71261916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).