1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride

C11H19Cl2N3OS — CID 119878993

IUPAC1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCCC(NC(=O)C1(N)CC1)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-3-8(9-13-7(2)6-16-9)14-10(15)11(12)4-5-11;;/h6,8H,3-5,12H2,1-2H3,(H,14,15);2*1H
InChIKeyVCIJCYRTCGNQEU-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.35
Rot. Bonds4

About 1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119878993) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is 1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119878993
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC Name1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCCC(NC(=O)C1(N)CC1)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-3-8(9-13-7(2)6-16-9)14-10(15)11(12)4-5-11;;/h6,8H,3-5,12H2,1-2H3,(H,14,15);2*1H
InChIKeyVCIJCYRTCGNQEU-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.35
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-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119878993) is 1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride is CCC(NC(=O)C1(N)CC1)c1nc(C)cs1.Cl.Cl.
What is the InChIKey of 1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is VCIJCYRTCGNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-3-8(9-13-7(2)6-16-9)14-10(15)11(12)4-5-11;;/h6,8H,3-5,12H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 2.35, 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-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119878993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).