2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide

C20H29N3O2S — CID 120631655

IUPAC2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)COc1ccc(C(C)(C)CNC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C20H29N3O2S/c1-14(2)11-25-16-7-5-15(6-8-16)20(3,4)13-22-19(24)17-12-26-18(23-17)9-10-21/h5-8,12,14H,9-11,13,21H2,1-4H3,(H,22,24)
InChIKeyCHCKZNIHVDDQDC-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.39
Rot. Bonds9

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

2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide (PubChem CID 120631655) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide
PubChem CID120631655
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)COc1ccc(C(C)(C)CNC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C20H29N3O2S/c1-14(2)11-25-16-7-5-15(6-8-16)20(3,4)13-22-19(24)17-12-26-18(23-17)9-10-21/h5-8,12,14H,9-11,13,21H2,1-4H3,(H,22,24)
InChIKeyCHCKZNIHVDDQDC-UHFFFAOYSA-N
XLogP3.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623914
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620358
3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride
CID 120500609
2-(2-aminoethyl)-N-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623855
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 120618812
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357
(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
CID 86813594
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618811
2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120621264
2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636237
2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621811
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide (CID 120631655) is 2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide is CC(C)COc1ccc(C(C)(C)CNC(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CHCKZNIHVDDQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-14(2)11-25-16-7-5-15(6-8-16)20(3,4)13-22-19(24)17-12-26-18(23-17)9-10-21/h5-8,12,14H,9-11,13,21H2,1-4H3,(H,22,24).
What are the key properties of 2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 375.54 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120631655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).