N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide

C19H15F2N5O4S — CID 11561411

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1
InChIInChI=1S/C19H15F2N5O4S/c1-22-17(27)12-6-10(4-5-23-12)8-24-16-15(31-9-25-16)18(28)26-11-2-3-13-14(7-11)30-19(20,21)29-13/h2-7,9,24H,8H2,1H3,(H,22,27)(H,26,28)
InChIKeyGXFMUXGPPXGMTM-UHFFFAOYSA-N
MW447.42 g/mol
LogP3.08
Rot. Bonds6

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide (PubChem CID 11561411) has the molecular formula C19H15F2N5O4S and a molecular weight of 447.42 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide
PubChem CID11561411
Molecular FormulaC19H15F2N5O4S
Molecular Weight447.42 g/mol
Exact Mass447.08
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1
InChIInChI=1S/C19H15F2N5O4S/c1-22-17(27)12-6-10(4-5-23-12)8-24-16-15(31-9-25-16)18(28)26-11-2-3-13-14(7-11)30-19(20,21)29-13/h2-7,9,24H,8H2,1H3,(H,22,27)(H,26,28)
InChIKeyGXFMUXGPPXGMTM-UHFFFAOYSA-N
XLogP3.08
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 18204016
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxylic acid
CID 59848965
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-4-fluoroanilino]methyl]-N,N-dimethylpyridine-2-carboxamide
CID 59848899
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 59848902
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[6-[(2-methoxyacetyl)amino]-3,4-dihydropyridin-4-yl]methylamino]-1,3-thiazole-5-carboxamide
CID 143290161
4-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10048974
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 59848956
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 59848967
4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide
CID 143290163
N-(1-benzylpyrrolidin-3-yl)-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide
CID 59848952
N-methyl-4-[[2-[(2,2,3,3,6-pentafluoro-1,4-benzodioxin-7-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide
CID 59848995
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[2-[(3-methoxyphenyl)carbamoylamino]-4-pyridinyl]methylamino]benzamide
CID 59848907

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide (CID 11561411) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide is CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is GXFMUXGPPXGMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O4S/c1-22-17(27)12-6-10(4-5-23-12)8-24-16-15(31-9-25-16)18(28)26-11-2-3-13-14(7-11)30-19(20,21)29-13/h2-7,9,24H,8H2,1H3,(H,22,27)(H,26,28).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 447.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11561411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).