4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide

C13H14F2N4OS — CID 116665288

IUPAC4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCc2ccc(F)cc2F)s1
InChIInChI=1S/C13H14F2N4OS/c1-19(2)13-18-11(16)10(21-13)12(20)17-6-7-3-4-8(14)5-9(7)15/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyRSBJXHIHCKAGIA-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.00
Rot. Bonds4

About 4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116665288) has the molecular formula C13H14F2N4OS and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116665288
Molecular FormulaC13H14F2N4OS
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCc2ccc(F)cc2F)s1
InChIInChI=1S/C13H14F2N4OS/c1-19(2)13-18-11(16)10(21-13)12(20)17-6-7-3-4-8(14)5-9(7)15/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyRSBJXHIHCKAGIA-UHFFFAOYSA-N
XLogP2.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(dimethylamino)-N-[(3-methyl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 114702402
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668777
4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116671148
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666832
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665584
4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671637
4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106343612
2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91971342
3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 55053425
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210
4-amino-2-(dimethylamino)-N-(6-hydroxyhexyl)-1,3-thiazole-5-carboxamide
CID 107855741

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 116665288) is 4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)NCc2ccc(F)cc2F)s1.
What is the InChIKey of 4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RSBJXHIHCKAGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4OS/c1-19(2)13-18-11(16)10(21-13)12(20)17-6-7-3-4-8(14)5-9(7)15/h3-5H,6,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).