2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide

C19H25N3OS2 — CID 120628160

IUPAC2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(SC2CCCCC2)ccc1NC(=O)c1csc(CCN)n1
InChIInChI=1S/C19H25N3OS2/c1-13-11-15(25-14-5-3-2-4-6-14)7-8-16(13)22-19(23)17-12-24-18(21-17)9-10-20/h7-8,11-12,14H,2-6,9-10,20H2,1H3,(H,22,23)
InChIKeyCYYQDOKCKWHBKP-UHFFFAOYSA-N
MW375.56 g/mol
LogP4.63
Rot. Bonds6

About 2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 120628160) has the molecular formula C19H25N3OS2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID120628160
Molecular FormulaC19H25N3OS2
Molecular Weight375.56 g/mol
Exact Mass375.14
IUPAC Name2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(SC2CCCCC2)ccc1NC(=O)c1csc(CCN)n1
InChIInChI=1S/C19H25N3OS2/c1-13-11-15(25-14-5-3-2-4-6-14)7-8-16(13)22-19(23)17-12-24-18(21-17)9-10-20/h7-8,11-12,14H,2-6,9-10,20H2,1H3,(H,22,23)
InChIKeyCYYQDOKCKWHBKP-UHFFFAOYSA-N
XLogP4.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(2-methyl-4-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120624354
2-(2-aminoethyl)-N-(3-hydroxy-2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 66390225
(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride
CID 119309258
2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617060
2-(2-aminoethyl)-N-[2-(azepan-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 120641148
2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147
2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66373606
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120619249
2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide
CID 120635551
(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide
CID 52515319
2-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 107805115

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide (CID 120628160) is 2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cc(SC2CCCCC2)ccc1NC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CYYQDOKCKWHBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS2/c1-13-11-15(25-14-5-3-2-4-6-14)7-8-16(13)22-19(23)17-12-24-18(21-17)9-10-20/h7-8,11-12,14H,2-6,9-10,20H2,1H3,(H,22,23).
What are the key properties of 2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 375.56 g/mol, XLogP of 4.63, 6 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-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120628160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).