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

C14H19Cl2N3OS2 — CID 119575796

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(CN)(NC(=O)c1csc(-c2cccs2)n1)C1CC1.Cl.Cl
InChIInChI=1S/C14H17N3OS2.2ClH/c1-14(8-15,9-4-5-9)17-12(18)10-7-20-13(16-10)11-3-2-6-19-11;;/h2-3,6-7,9H,4-5,8,15H2,1H3,(H,17,18);2*1H
InChIKeyCFTKLBQUDVUFHC-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.57
Rot. Bonds5

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

N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119575796) has the molecular formula C14H19Cl2N3OS2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119575796
Molecular FormulaC14H19Cl2N3OS2
Molecular Weight380.37 g/mol
Exact Mass379.03
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(CN)(NC(=O)c1csc(-c2cccs2)n1)C1CC1.Cl.Cl
InChIInChI=1S/C14H17N3OS2.2ClH/c1-14(8-15,9-4-5-9)17-12(18)10-7-20-13(16-10)11-3-2-6-19-11;;/h2-3,6-7,9H,4-5,8,15H2,1H3,(H,17,18);2*1H
InChIKeyCFTKLBQUDVUFHC-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
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N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
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CID 46554707
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
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CID 119612343
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
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N-(1-amino-2-cyclopropylpropan-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119575724
N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119575796) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is CC(CN)(NC(=O)c1csc(-c2cccs2)n1)C1CC1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is CFTKLBQUDVUFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2.2ClH/c1-14(8-15,9-4-5-9)17-12(18)10-7-20-13(16-10)11-3-2-6-19-11;;/h2-3,6-7,9H,4-5,8,15H2,1H3,(H,17,18);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 380.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119575796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).