2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride

C18H25Cl2N3OS — CID 119778553

IUPAC2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(C)c1sc(-c2ccc(Cl)cc2)nc1C.Cl
InChIInChI=1S/C18H24ClN3OS.ClH/c1-5-10(2)15(20)17(23)21-11(3)16-12(4)22-18(24-16)13-6-8-14(19)9-7-13;/h6-11,15H,5,20H2,1-4H3,(H,21,23);1H
InChIKeyTYJBBEVCDNYNJC-UHFFFAOYSA-N
MW402.39 g/mol
LogP4.74
Rot. Bonds6

About 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride

2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride (PubChem CID 119778553) has the molecular formula C18H25Cl2N3OS and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride
PubChem CID119778553
Molecular FormulaC18H25Cl2N3OS
Molecular Weight402.39 g/mol
Exact Mass401.11
IUPAC Name2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(C)c1sc(-c2ccc(Cl)cc2)nc1C.Cl
InChIInChI=1S/C18H24ClN3OS.ClH/c1-5-10(2)15(20)17(23)21-11(3)16-12(4)22-18(24-16)13-6-8-14(19)9-7-13;/h6-11,15H,5,20H2,1-4H3,(H,21,23);1H
InChIKeyTYJBBEVCDNYNJC-UHFFFAOYSA-N
XLogP4.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 119320638
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide
CID 86896581
(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methylsulfanylbutanamide
CID 119320646
N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95339303
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119778547
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride
CID 120500956
2-amino-3-methoxy-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 120989885
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119778537
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119778561
1-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-(2-hydroxyethyl)urea
CID 95759999
2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride
CID 120990530
2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120990531

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride (CID 119778553) is 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NC(C)c1sc(-c2ccc(Cl)cc2)nc1C.Cl.
What is the InChIKey of 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride?
The InChIKey is TYJBBEVCDNYNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3OS.ClH/c1-5-10(2)15(20)17(23)21-11(3)16-12(4)22-18(24-16)13-6-8-14(19)9-7-13;/h6-11,15H,5,20H2,1-4H3,(H,21,23);1H.
What are the key properties of 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride has a molecular weight of 402.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119778553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).