3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride

C18H26ClN3OS — CID 119810801

IUPAC3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride
SMILESCc1nc(CC(C)C)c(NC(=O)C(C)C(N)c2ccccc2)s1.Cl
InChIInChI=1S/C18H25N3OS.ClH/c1-11(2)10-15-18(23-13(4)20-15)21-17(22)12(3)16(19)14-8-6-5-7-9-14;/h5-9,11-12,16H,10,19H2,1-4H3,(H,21,22);1H
InChIKeyJOZNLLWIUJZZRO-UHFFFAOYSA-N
MW367.95 g/mol
LogP4.35
Rot. Bonds6

About 3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride

3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride (PubChem CID 119810801) has the molecular formula C18H26ClN3OS and a molecular weight of 367.95 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride
PubChem CID119810801
Molecular FormulaC18H26ClN3OS
Molecular Weight367.95 g/mol
Exact Mass367.15
IUPAC Name3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride
SMILESCc1nc(CC(C)C)c(NC(=O)C(C)C(N)c2ccccc2)s1.Cl
InChIInChI=1S/C18H25N3OS.ClH/c1-11(2)10-15-18(23-13(4)20-15)21-17(22)12(3)16(19)14-8-6-5-7-9-14;/h5-9,11-12,16H,10,19H2,1-4H3,(H,21,22);1H
InChIKeyJOZNLLWIUJZZRO-UHFFFAOYSA-N
XLogP4.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
CID 119339118
2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
CID 119810811
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
3-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119745212
2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637239
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
CID 80550057
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide
CID 103307056
3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide
CID 119810798
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
methyl 2-[3-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-1H-1,2,4-triazol-5-yl]acetate;hydrochloride
CID 119735163

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride (CID 119810801) is 3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride is Cc1nc(CC(C)C)c(NC(=O)C(C)C(N)c2ccccc2)s1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride?
The InChIKey is JOZNLLWIUJZZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS.ClH/c1-11(2)10-15-18(23-13(4)20-15)21-17(22)12(3)16(19)14-8-6-5-7-9-14;/h5-9,11-12,16H,10,19H2,1-4H3,(H,21,22);1H.
What are the key properties of 3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride has a molecular weight of 367.95 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119810801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).