N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide

C13H19N3O2S — CID 119700429

IUPACN-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)C1COCCN1
InChIInChI=1S/C13H19N3O2S/c17-12(10-8-18-7-6-14-10)16-13-15-9-4-2-1-3-5-11(9)19-13/h10,14H,1-8H2,(H,15,16,17)
InChIKeyXDEXRNRNXDNELQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.34
Rot. Bonds2

About N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide

N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide (PubChem CID 119700429) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide
PubChem CID119700429
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)C1COCCN1
InChIInChI=1S/C13H19N3O2S/c17-12(10-8-18-7-6-14-10)16-13-15-9-4-2-1-3-5-11(9)19-13/h10,14H,1-8H2,(H,15,16,17)
InChIKeyXDEXRNRNXDNELQ-UHFFFAOYSA-N
XLogP1.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 102554241
(2S)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119290959
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 54968732
(3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide
CID 124702973
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119300541
(3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide
CID 99699028
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 54968780
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide
CID 56675559
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 119317036
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119277026
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 119300571

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide (CID 119700429) is N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide is O=C(Nc1nc2c(s1)CCCCC2)C1COCCN1.
What is the InChIKey of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide?
The InChIKey is XDEXRNRNXDNELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-12(10-8-18-7-6-14-10)16-13-15-9-4-2-1-3-5-11(9)19-13/h10,14H,1-8H2,(H,15,16,17).
What are the key properties of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide?
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 119700429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).