N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide

C15H19N5O2S — CID 166268630

IUPACN-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1nc(C2CCOCC2)cs1)C1CC(n2ccnn2)C1
InChIInChI=1S/C15H19N5O2S/c21-14(11-7-12(8-11)20-4-3-16-19-20)18-15-17-13(9-23-15)10-1-5-22-6-2-10/h3-4,9-12H,1-2,5-8H2,(H,17,18,21)
InChIKeyJXGRFOVEDNMROF-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.22
Rot. Bonds4

About N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide

N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide (PubChem CID 166268630) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide
PubChem CID166268630
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1nc(C2CCOCC2)cs1)C1CC(n2ccnn2)C1
InChIInChI=1S/C15H19N5O2S/c21-14(11-7-12(8-11)20-4-3-16-19-20)18-15-17-13(9-23-15)10-1-5-22-6-2-10/h3-4,9-12H,1-2,5-8H2,(H,17,18,21)
InChIKeyJXGRFOVEDNMROF-UHFFFAOYSA-N
XLogP2.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 94211482
N-(4-cyclopropyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47200518
(2S,5R)-5-(imidazol-1-ylmethyl)-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 166262994
1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 154745107
(1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide
CID 167897147
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453
2-amino-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 154786029
N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 30472924
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 32868205
2-[ethyl-[3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122093415
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650779

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide (CID 166268630) is N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide is O=C(Nc1nc(C2CCOCC2)cs1)C1CC(n2ccnn2)C1.
What is the InChIKey of N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide?
The InChIKey is JXGRFOVEDNMROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-14(11-7-12(8-11)20-4-3-16-19-20)18-15-17-13(9-23-15)10-1-5-22-6-2-10/h3-4,9-12H,1-2,5-8H2,(H,17,18,21).
What are the key properties of N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide?
N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166268630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).