4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide

C17H15F2N5O3S — CID 143290163

IUPAC4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide
SMILESNc1cc(CNc2ncsc2C(=O)Nc2ccc(O)c(OC(F)F)c2)ccn1
InChIInChI=1S/C17H15F2N5O3S/c18-17(19)27-12-6-10(1-2-11(12)25)24-16(26)14-15(23-8-28-14)22-7-9-3-4-21-13(20)5-9/h1-6,8,17,22,25H,7H2,(H2,20,21)(H,24,26)
InChIKeyJLOHNCAXLCEAOZ-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.29
Rot. Bonds7

About 4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide

4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide (PubChem CID 143290163) has the molecular formula C17H15F2N5O3S and a molecular weight of 407.40 g/mol. Its IUPAC name is 4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide
PubChem CID143290163
Molecular FormulaC17H15F2N5O3S
Molecular Weight407.40 g/mol
Exact Mass407.09
IUPAC Name4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide
SMILESNc1cc(CNc2ncsc2C(=O)Nc2ccc(O)c(OC(F)F)c2)ccn1
InChIInChI=1S/C17H15F2N5O3S/c18-17(19)27-12-6-10(1-2-11(12)25)24-16(26)14-15(23-8-28-14)22-7-9-3-4-21-13(20)5-9/h1-6,8,17,22,25H,7H2,(H2,20,21)(H,24,26)
InChIKeyJLOHNCAXLCEAOZ-UHFFFAOYSA-N
XLogP3.29
TPSA122.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[[2-(methylcarbamoyl)-4-pyridinyl]methylamino]-1,3-thiazole-5-carboxamide
CID 11561411
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 64525284
3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 75475805
2-[(2-amino-4-pyridinyl)methylamino]phenol
CID 105468629
N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64782010
3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43731334
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide
CID 68820475
2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
CID 22498883
2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 120633179
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99827913

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide (CID 143290163) is 4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide is Nc1cc(CNc2ncsc2C(=O)Nc2ccc(O)c(OC(F)F)c2)ccn1.
What is the InChIKey of 4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JLOHNCAXLCEAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O3S/c18-17(19)27-12-6-10(1-2-11(12)25)24-16(26)14-15(23-8-28-14)22-7-9-3-4-21-13(20)5-9/h1-6,8,17,22,25H,7H2,(H2,20,21)(H,24,26).
What are the key properties of 4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide?
4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-pyridinyl)methylamino]-N-[3-(difluoromethoxy)-4-hydroxyphenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143290163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).