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

C14H18N4OS — CID 116668777

IUPAC4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2sc(N(C)C)nc2N)cc1
InChIInChI=1S/C14H18N4OS/c1-9-4-6-10(7-5-9)8-16-13(19)11-12(15)17-14(20-11)18(2)3/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeyLOYFFQBNTFHUCQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.03
Rot. Bonds4

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

4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116668777) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116668777
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2sc(N(C)C)nc2N)cc1
InChIInChI=1S/C14H18N4OS/c1-9-4-6-10(7-5-9)8-16-13(19)11-12(15)17-14(20-11)18(2)3/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeyLOYFFQBNTFHUCQ-UHFFFAOYSA-N
XLogP2.03
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670788
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666832
4-amino-2-(dimethylamino)-N-[(3-methyl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 114702402
4-amino-2-[ethyl(methyl)amino]-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670630
4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116665288
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672594
4-amino-2-[ethyl(methyl)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668817
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106343612

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 116668777) is 4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(CNC(=O)c2sc(N(C)C)nc2N)cc1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LOYFFQBNTFHUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-4-6-10(7-5-9)8-16-13(19)11-12(15)17-14(20-11)18(2)3/h4-7H,8,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).