2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C15H18N4O2S — CID 120617738

IUPAC2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C15H18N4O2S/c1-19(2)15(21)10-3-5-11(6-4-10)17-14(20)12-9-22-13(18-12)7-8-16/h3-6,9H,7-8,16H2,1-2H3,(H,17,20)
InChIKeyVXQIVZDDULNIOM-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.60
Rot. Bonds5

About 2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 120617738) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID120617738
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C15H18N4O2S/c1-19(2)15(21)10-3-5-11(6-4-10)17-14(20)12-9-22-13(18-12)7-8-16/h3-6,9H,7-8,16H2,1-2H3,(H,17,20)
InChIKeyVXQIVZDDULNIOM-UHFFFAOYSA-N
XLogP1.60
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639449
2-(2-aminoethyl)-N-[4-(azepane-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624449
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618225
2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 120647339
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120621026
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120619249
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
CID 120646629
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 107795142

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 120617738) is 2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1ccc(NC(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VXQIVZDDULNIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-19(2)15(21)10-3-5-11(6-4-10)17-14(20)12-9-22-13(18-12)7-8-16/h3-6,9H,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of 2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120617738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).