1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride

C18H22ClN3O3S — CID 119264950

About 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119264950) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
• PubChem CID: 119264950
• Molecular Formula: C18H22ClN3O3S
• Molecular Weight: 395.91 g/mol
• Exact Mass: 395.11
• IUPAC Name: 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
• SMILES: Cl.NC1(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCCCC1
• InChI: InChI=1S/C18H21N3O3S.ClH/c19-18(6-2-1-3-7-18)16(22)21-17-20-13(11-25-17)12-4-5-14-15(10-12)24-9-8-23-14;/h4-5,10-11H,1-3,6-9,19H2,(H,20,21,22);1H
• InChIKey: MFJBFWJMIRJGMI-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 86.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.91
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?

The IUPAC name of 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119264950) is 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride.

What is the SMILES notation for 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?

The canonical SMILES for 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCCCC1.

What is the InChIKey of 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?

The InChIKey is MFJBFWJMIRJGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S.ClH/c19-18(6-2-1-3-7-18)16(22)21-17-20-13(11-25-17)12-4-5-14-15(10-12)24-9-8-23-14;/h4-5,10-11H,1-3,6-9,19H2,(H,20,21,22);1H.

What are the key properties of 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?

1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 395.91 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119264950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).