N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride

C19H27Cl2N3O3S — CID 119574705

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCOc1ccc(-c2nc(C)c(C(=O)NC(C)(CN)C3CC3)s2)cc1OC.Cl.Cl
InChIInChI=1S/C19H25N3O3S.2ClH/c1-11-16(17(23)22-19(2,10-20)13-6-7-13)26-18(21-11)12-5-8-14(24-3)15(9-12)25-4;;/h5,8-9,13H,6-7,10,20H2,1-4H3,(H,22,23);2*1H
InChIKeyAKMLKIULUVUFFN-UHFFFAOYSA-N
MW448.42 g/mol
LogP3.84
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119574705) has the molecular formula C19H27Cl2N3O3S and a molecular weight of 448.42 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119574705
Molecular FormulaC19H27Cl2N3O3S
Molecular Weight448.42 g/mol
Exact Mass447.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCOc1ccc(-c2nc(C)c(C(=O)NC(C)(CN)C3CC3)s2)cc1OC.Cl.Cl
InChIInChI=1S/C19H25N3O3S.2ClH/c1-11-16(17(23)22-19(2,10-20)13-6-7-13)26-18(21-11)12-5-8-14(24-3)15(9-12)25-4;;/h5,8-9,13H,6-7,10,20H2,1-4H3,(H,22,23);2*1H
InChIKeyAKMLKIULUVUFFN-UHFFFAOYSA-N
XLogP3.84
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride 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

3-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250022
N-(1-amino-4-methylpentan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119587642
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119458090
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
CID 119575042
2-(3,4-dimethoxyphenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119452667
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119572194
N-(3-aminobutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119498037
2-(3,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42534442
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119633380
2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 27698476
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 119536560
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119574705) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride is COc1ccc(-c2nc(C)c(C(=O)NC(C)(CN)C3CC3)s2)cc1OC.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is AKMLKIULUVUFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.2ClH/c1-11-16(17(23)22-19(2,10-20)13-6-7-13)26-18(21-11)12-5-8-14(24-3)15(9-12)25-4;;/h5,8-9,13H,6-7,10,20H2,1-4H3,(H,22,23);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 448.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119574705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).