N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride

C5H8Cl2N2OS — CID 175705206

IUPACN-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCNC(=O)c1cscn1.Cl.Cl
InChIInChI=1S/C5H6N2OS.2ClH/c1-6-5(8)4-2-9-3-7-4;;/h2-3H,1H3,(H,6,8);2*1H
InChIKeyANCGUMFYLSUDSQ-UHFFFAOYSA-N
MW215.11 g/mol
LogP1.35
Rot. Bonds1

About N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride

N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 175705206) has the molecular formula C5H8Cl2N2OS and a molecular weight of 215.11 g/mol. Its IUPAC name is N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID175705206
Molecular FormulaC5H8Cl2N2OS
Molecular Weight215.11 g/mol
Exact Mass213.97
IUPAC NameN-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCNC(=O)c1cscn1.Cl.Cl
InChIInChI=1S/C5H6N2OS.2ClH/c1-6-5(8)4-2-9-3-7-4;;/h2-3H,1H3,(H,6,8);2*1H
InChIKeyANCGUMFYLSUDSQ-UHFFFAOYSA-N
XLogP1.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
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CID 154068900
N'-ethyl-N'-methyl-1,3-thiazole-4-carbohydrazide
CID 130734598
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
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CID 84557796

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 175705206) is N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is CNC(=O)c1cscn1.Cl.Cl.
What is the InChIKey of N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is ANCGUMFYLSUDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS.2ClH/c1-6-5(8)4-2-9-3-7-4;;/h2-3H,1H3,(H,6,8);2*1H.
What are the key properties of N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 215.11 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 175705206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).