N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride

C16H22Cl2FN3OS — CID 119521585

IUPACN-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)(C)CN.Cl.Cl
InChIInChI=1S/C16H20FN3OS.2ClH/c1-10-14(15(21)20-16(2,3)9-18)22-13(19-10)8-11-4-6-12(17)7-5-11;;/h4-7H,8-9,18H2,1-3H3,(H,20,21);2*1H
InChIKeyKTXNGNDDEBSYDG-UHFFFAOYSA-N
MW394.34 g/mol
LogP3.49
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119521585) has the molecular formula C16H22Cl2FN3OS and a molecular weight of 394.34 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119521585
Molecular FormulaC16H22Cl2FN3OS
Molecular Weight394.34 g/mol
Exact Mass393.08
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)(C)CN.Cl.Cl
InChIInChI=1S/C16H20FN3OS.2ClH/c1-10-14(15(21)20-16(2,3)9-18)22-13(19-10)8-11-4-6-12(17)7-5-11;;/h4-7H,8-9,18H2,1-3H3,(H,20,21);2*1H
InChIKeyKTXNGNDDEBSYDG-UHFFFAOYSA-N
XLogP3.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-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

2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
CID 119187590
2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-methylpentanoic acid
CID 119192094
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119523102
4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 119204182
N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119597606
2-[(4-fluorophenyl)methyl]-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55650082
2-[(4-fluorophenyl)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120945101
N-(5-carbamoyl-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 78869889
4-[[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542359
2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200329
2-[(4-fluorophenyl)methyl]-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 86825597

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119521585) is N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)(C)CN.Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is KTXNGNDDEBSYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS.2ClH/c1-10-14(15(21)20-16(2,3)9-18)22-13(19-10)8-11-4-6-12(17)7-5-11;;/h4-7H,8-9,18H2,1-3H3,(H,20,21);2*1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119521585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).