N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride

C14H18ClN3OS — CID 120826646

IUPACN-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(-c2ccccc2)ns1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-10(15-2)9-16-14(18)13-8-12(17-19-13)11-6-4-3-5-7-11;/h3-8,10,15H,9H2,1-2H3,(H,16,18);1H
InChIKeyIYFHXALRNBXOEG-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride

N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride (PubChem CID 120826646) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
PubChem CID120826646
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(-c2ccccc2)ns1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-10(15-2)9-16-14(18)13-8-12(17-19-13)11-6-4-3-5-7-11;/h3-8,10,15H,9H2,1-2H3,(H,16,18);1H
InChIKeyIYFHXALRNBXOEG-UHFFFAOYSA-N
XLogP2.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
CID 53169222
(2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid
CID 119368095
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120946394
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 120830450
5-methyl-N-[2-(methylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120827128
N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828248
5-(3-chlorophenyl)-N-[2-(methylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120826944
3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide
CID 120831086
5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829270
3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 53169211
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride (CID 120826646) is N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cc(-c2ccccc2)ns1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride?
The InChIKey is IYFHXALRNBXOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-10(15-2)9-16-14(18)13-8-12(17-19-13)11-6-4-3-5-7-11;/h3-8,10,15H,9H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride?
N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120826646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).