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

C16H19Cl2N3OS — CID 119812912

IUPAC1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1sc(C(C)NC(=O)C2(N)CC2)nc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H18ClN3OS.ClH/c1-9(19-15(21)16(18)7-8-16)14-20-13(10(2)22-14)11-3-5-12(17)6-4-11;/h3-6,9H,7-8,18H2,1-2H3,(H,19,21);1H
InChIKeyPYHNFNRAYDGMDX-UHFFFAOYSA-N
MW372.32 g/mol
LogP3.86
Rot. Bonds4

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

1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119812912) has the molecular formula C16H19Cl2N3OS and a molecular weight of 372.32 g/mol. Its IUPAC name is 1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119812912
Molecular FormulaC16H19Cl2N3OS
Molecular Weight372.32 g/mol
Exact Mass371.06
IUPAC Name1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1sc(C(C)NC(=O)C2(N)CC2)nc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H18ClN3OS.ClH/c1-9(19-15(21)16(18)7-8-16)14-20-13(10(2)22-14)11-3-5-12(17)6-4-11;/h3-6,9H,7-8,18H2,1-2H3,(H,19,21);1H
InChIKeyPYHNFNRAYDGMDX-UHFFFAOYSA-N
XLogP3.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride (CID 119812912) is 1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride is Cc1sc(C(C)NC(=O)C2(N)CC2)nc1-c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is PYHNFNRAYDGMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS.ClH/c1-9(19-15(21)16(18)7-8-16)14-20-13(10(2)22-14)11-3-5-12(17)6-4-11;/h3-6,9H,7-8,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 372.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119812912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).