2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

C14H18ClN3O2S — CID 119707103

IUPAC2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)c2csc(CN)n2)cc1.Cl
InChIInChI=1S/C14H17N3O2S.ClH/c1-9(2)19-11-5-3-10(4-6-11)16-14(18)12-8-20-13(7-15)17-12;/h3-6,8-9H,7,15H2,1-2H3,(H,16,18);1H
InChIKeyHWVFSMGWTKCAQJ-UHFFFAOYSA-N
MW327.84 g/mol
LogP3.06
Rot. Bonds5

About 2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119707103) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119707103
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)c2csc(CN)n2)cc1.Cl
InChIInChI=1S/C14H17N3O2S.ClH/c1-9(2)19-11-5-3-10(4-6-11)16-14(18)12-8-20-13(7-15)17-12;/h3-6,8-9H,7,15H2,1-2H3,(H,16,18);1H
InChIKeyHWVFSMGWTKCAQJ-UHFFFAOYSA-N
XLogP3.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119739512
2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119844245
2-(aminomethyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119713421
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
2-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 119786465
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119714907
2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120627670
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119754236
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 66377258
2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
2-(aminomethyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671516

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119707103) is 2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)Oc1ccc(NC(=O)c2csc(CN)n2)cc1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is HWVFSMGWTKCAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.ClH/c1-9(2)19-11-5-3-10(4-6-11)16-14(18)12-8-20-13(7-15)17-12;/h3-6,8-9H,7,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119707103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).