N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C18H26N4O3S — CID 90526278

IUPACN-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)NC1CCCCC1)CC2)C1CCCO1
InChIInChI=1S/C18H26N4O3S/c23-16(14-7-4-10-25-14)21-17-20-13-8-9-22(11-15(13)26-17)18(24)19-12-5-2-1-3-6-12/h12,14H,1-11H2,(H,19,24)(H,20,21,23)
InChIKeyUBAJLMUHXPRFNJ-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.66
Rot. Bonds3

About N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90526278) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID90526278
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)NC1CCCCC1)CC2)C1CCCO1
InChIInChI=1S/C18H26N4O3S/c23-16(14-7-4-10-25-14)21-17-20-13-8-9-22(11-15(13)26-17)18(24)19-12-5-2-1-3-6-12/h12,14H,1-11H2,(H,19,24)(H,20,21,23)
InChIKeyUBAJLMUHXPRFNJ-UHFFFAOYSA-N
XLogP2.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolane-2-carbonylamino)-N-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526295
N-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526003
2-(oxolane-2-carbonylamino)-N-(3-phenylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526316
N-[5-(3,4-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525984
N-[5-(3,5-dimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525996
N-[5-(2-bromobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526007
N-[5-(3-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526005
N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526029
N-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526139
N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526050
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525922
1-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90526278) is N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)NC1CCCCC1)CC2)C1CCCO1.
What is the InChIKey of N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is UBAJLMUHXPRFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c23-16(14-7-4-10-25-14)21-17-20-13-8-9-22(11-15(13)26-17)18(24)19-12-5-2-1-3-6-12/h12,14H,1-11H2,(H,19,24)(H,20,21,23).
What are the key properties of N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90526278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).