2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

C17H24N4O2S — CID 120639941

IUPAC2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2csc(CCN)n2)N(C)C)c1
InChIInChI=1S/C17H24N4O2S/c1-21(2)15(12-5-4-6-13(9-12)23-3)10-19-17(22)14-11-24-16(20-14)7-8-18/h4-6,9,11,15H,7-8,10,18H2,1-3H3,(H,19,22)
InChIKeySYTLMCCBVIVDNU-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.69
Rot. Bonds8

About 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120639941) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID120639941
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2csc(CCN)n2)N(C)C)c1
InChIInChI=1S/C17H24N4O2S/c1-21(2)15(12-5-4-6-13(9-12)23-3)10-19-17(22)14-11-24-16(20-14)7-8-18/h4-6,9,11,15H,7-8,10,18H2,1-3H3,(H,19,22)
InChIKeySYTLMCCBVIVDNU-UHFFFAOYSA-N
XLogP1.69
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119837718
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119765496
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119765495
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42922685
2-(2-aminoethyl)-N-[3-(3-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120635005
2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636229
2-(2-aminoethyl)-N-[2-(3-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636617
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120619873
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 120639941) is 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is COc1cccc(C(CNC(=O)c2csc(CCN)n2)N(C)C)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SYTLMCCBVIVDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-21(2)15(12-5-4-6-13(9-12)23-3)10-19-17(22)14-11-24-16(20-14)7-8-18/h4-6,9,11,15H,7-8,10,18H2,1-3H3,(H,19,22).
What are the key properties of 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120639941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).