1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride

C15H18ClN3O2S — CID 119677238

IUPAC1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(-c2nc(NC(=O)C3(N)CC3)sc2C)cc1.Cl
InChIInChI=1S/C15H17N3O2S.ClH/c1-9-12(10-3-5-11(20-2)6-4-10)17-14(21-9)18-13(19)15(16)7-8-15;/h3-6H,7-8,16H2,1-2H3,(H,17,18,19);1H
InChIKeyPONHKJDEXFRRKZ-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.98
Rot. Bonds4

About 1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119677238) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119677238
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(-c2nc(NC(=O)C3(N)CC3)sc2C)cc1.Cl
InChIInChI=1S/C15H17N3O2S.ClH/c1-9-12(10-3-5-11(20-2)6-4-10)17-14(21-9)18-13(19)15(16)7-8-15;/h3-6H,7-8,16H2,1-2H3,(H,17,18,19);1H
InChIKeyPONHKJDEXFRRKZ-UHFFFAOYSA-N
XLogP2.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carboxamide
CID 4812490
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride (CID 119677238) is 1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride is COc1ccc(-c2nc(NC(=O)C3(N)CC3)sc2C)cc1.Cl.
What is the InChIKey of 1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is PONHKJDEXFRRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S.ClH/c1-9-12(10-3-5-11(20-2)6-4-10)17-14(21-9)18-13(19)15(16)7-8-15;/h3-6H,7-8,16H2,1-2H3,(H,17,18,19);1H.
What are the key properties of 1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 339.85 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119677238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).