N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C19H24N4OS — CID 138380021

IUPACN-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESNC1CCC(NC(=O)C2CCc3sc(-c4ccncc4)nc3C2)CC1
InChIInChI=1S/C19H24N4OS/c20-14-2-4-15(5-3-14)22-18(24)13-1-6-17-16(11-13)23-19(25-17)12-7-9-21-10-8-12/h7-10,13-15H,1-6,11,20H2,(H,22,24)
InChIKeyHBPKNHZTFOQGPA-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.70
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138380021) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138380021
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESNC1CCC(NC(=O)C2CCc3sc(-c4ccncc4)nc3C2)CC1
InChIInChI=1S/C19H24N4OS/c20-14-2-4-15(5-3-14)22-18(24)13-1-6-17-16(11-13)23-19(25-17)12-7-9-21-10-8-12/h7-10,13-15H,1-6,11,20H2,(H,22,24)
InChIKeyHBPKNHZTFOQGPA-UHFFFAOYSA-N
XLogP2.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138380021) is N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is NC1CCC(NC(=O)C2CCc3sc(-c4ccncc4)nc3C2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is HBPKNHZTFOQGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c20-14-2-4-15(5-3-14)22-18(24)13-1-6-17-16(11-13)23-19(25-17)12-7-9-21-10-8-12/h7-10,13-15H,1-6,11,20H2,(H,22,24).
What are the key properties of N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138380021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).