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

C18H26N4O3S — CID 138384883

IUPACN-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESNC(=O)C1(NC(=O)C2CCc3sc(N4CCOCC4)nc3C2)CCCC1
InChIInChI=1S/C18H26N4O3S/c19-16(24)18(5-1-2-6-18)21-15(23)12-3-4-14-13(11-12)20-17(26-14)22-7-9-25-10-8-22/h12H,1-11H2,(H2,19,24)(H,21,23)
InChIKeyCNQWTEPRORRQME-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.00
Rot. Bonds4

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

N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138384883) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138384883
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESNC(=O)C1(NC(=O)C2CCc3sc(N4CCOCC4)nc3C2)CCCC1
InChIInChI=1S/C18H26N4O3S/c19-16(24)18(5-1-2-6-18)21-15(23)12-3-4-14-13(11-12)20-17(26-14)22-7-9-25-10-8-22/h12H,1-11H2,(H2,19,24)(H,21,23)
InChIKeyCNQWTEPRORRQME-UHFFFAOYSA-N
XLogP1.00
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138384883) is N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is NC(=O)C1(NC(=O)C2CCc3sc(N4CCOCC4)nc3C2)CCCC1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is CNQWTEPRORRQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c19-16(24)18(5-1-2-6-18)21-15(23)12-3-4-14-13(11-12)20-17(26-14)22-7-9-25-10-8-22/h12H,1-11H2,(H2,19,24)(H,21,23).
What are the key properties of N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138384883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).