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

C16H21Cl2N3OS — CID 119575714

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(CN)(NC(=O)c1csc(-c2ccccc2)n1)C1CC1.Cl.Cl
InChIInChI=1S/C16H19N3OS.2ClH/c1-16(10-17,12-7-8-12)19-14(20)13-9-21-15(18-13)11-5-3-2-4-6-11;;/h2-6,9,12H,7-8,10,17H2,1H3,(H,19,20);2*1H
InChIKeyQEXZSDOOVQWLMR-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.51
Rot. Bonds5

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

N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119575714) has the molecular formula C16H21Cl2N3OS and a molecular weight of 374.34 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119575714
Molecular FormulaC16H21Cl2N3OS
Molecular Weight374.34 g/mol
Exact Mass373.08
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(CN)(NC(=O)c1csc(-c2ccccc2)n1)C1CC1.Cl.Cl
InChIInChI=1S/C16H19N3OS.2ClH/c1-16(10-17,12-7-8-12)19-14(20)13-9-21-15(18-13)11-5-3-2-4-6-11;;/h2-6,9,12H,7-8,10,17H2,1H3,(H,19,20);2*1H
InChIKeyQEXZSDOOVQWLMR-UHFFFAOYSA-N
XLogP3.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119575714) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride is CC(CN)(NC(=O)c1csc(-c2ccccc2)n1)C1CC1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is QEXZSDOOVQWLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.2ClH/c1-16(10-17,12-7-8-12)19-14(20)13-9-21-15(18-13)11-5-3-2-4-6-11;;/h2-6,9,12H,7-8,10,17H2,1H3,(H,19,20);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 374.34 g/mol, XLogP of 3.51, 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-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119575714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).