N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide

C16H24N2O2S — CID 110015014

IUPACN-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide
SMILESCCc1nc2c(s1)C(N(C)C(=O)C1CCCC1O)CCC2
InChIInChI=1S/C16H24N2O2S/c1-3-14-17-11-7-5-8-12(15(11)21-14)18(2)16(20)10-6-4-9-13(10)19/h10,12-13,19H,3-9H2,1-2H3
InChIKeyVIOZQWVDFZIXFF-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.70
Rot. Bonds3

About N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide

N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide (PubChem CID 110015014) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide
PubChem CID110015014
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide
SMILESCCc1nc2c(s1)C(N(C)C(=O)C1CCCC1O)CCC2
InChIInChI=1S/C16H24N2O2S/c1-3-14-17-11-7-5-8-12(15(11)21-14)18(2)16(20)10-6-4-9-13(10)19/h10,12-13,19H,3-9H2,1-2H3
InChIKeyVIOZQWVDFZIXFF-UHFFFAOYSA-N
XLogP2.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide (CID 110015014) is N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide is CCc1nc2c(s1)C(N(C)C(=O)C1CCCC1O)CCC2.
What is the InChIKey of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide?
The InChIKey is VIOZQWVDFZIXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-14-17-11-7-5-8-12(15(11)21-14)18(2)16(20)10-6-4-9-13(10)19/h10,12-13,19H,3-9H2,1-2H3.
What are the key properties of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide?
N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-hydroxy-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 110015014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).