1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride

C14H19Cl2N5OS — CID 119855739

IUPAC1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2nnc(-c3ccccn3)s2)CCCCC1
InChIInChI=1S/C14H17N5OS.2ClH/c15-14(7-3-1-4-8-14)12(20)17-13-19-18-11(21-13)10-6-2-5-9-16-10;;/h2,5-6,9H,1,3-4,7-8,15H2,(H,17,19,20);2*1H
InChIKeyHKENBKHJDUBSLV-UHFFFAOYSA-N
MW376.31 g/mol
LogP3.04
Rot. Bonds3

About 1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119855739) has the molecular formula C14H19Cl2N5OS and a molecular weight of 376.31 g/mol. Its IUPAC name is 1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119855739
Molecular FormulaC14H19Cl2N5OS
Molecular Weight376.31 g/mol
Exact Mass375.07
IUPAC Name1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2nnc(-c3ccccn3)s2)CCCCC1
InChIInChI=1S/C14H17N5OS.2ClH/c15-14(7-3-1-4-8-14)12(20)17-13-19-18-11(21-13)10-6-2-5-9-16-10;;/h2,5-6,9H,1,3-4,7-8,15H2,(H,17,19,20);2*1H
InChIKeyHKENBKHJDUBSLV-UHFFFAOYSA-N
XLogP3.04
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride (CID 119855739) is 1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)Nc2nnc(-c3ccccn3)s2)CCCCC1.
What is the InChIKey of 1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is HKENBKHJDUBSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS.2ClH/c15-14(7-3-1-4-8-14)12(20)17-13-19-18-11(21-13)10-6-2-5-9-16-10;;/h2,5-6,9H,1,3-4,7-8,15H2,(H,17,19,20);2*1H.
What are the key properties of 1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 376.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119855739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).