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

C14H18N4O2S — CID 116670788

IUPAC4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2sc(N(C)C)nc2N)c1
InChIInChI=1S/C14H18N4O2S/c1-18(2)14-17-12(15)11(21-14)13(19)16-8-9-5-4-6-10(7-9)20-3/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeyWYFIPUMTPHLMCJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.73
Rot. Bonds5

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

4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116670788) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116670788
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2sc(N(C)C)nc2N)c1
InChIInChI=1S/C14H18N4O2S/c1-18(2)14-17-12(15)11(21-14)13(19)16-8-9-5-4-6-10(7-9)20-3/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeyWYFIPUMTPHLMCJ-UHFFFAOYSA-N
XLogP1.73
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663116
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668777
4-amino-2-[ethyl(methyl)amino]-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670630
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395404
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666832
4-amino-5-N-benzyl-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53134282
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
4-amino-2-(dimethylamino)-N-[(3-methyl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 114702402
2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104507
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 116670788) is 4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is COc1cccc(CNC(=O)c2sc(N(C)C)nc2N)c1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WYFIPUMTPHLMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18(2)14-17-12(15)11(21-14)13(19)16-8-9-5-4-6-10(7-9)20-3/h4-7H,8,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).