1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine

C20H26N4OS — CID 154668085

IUPAC1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
SMILESCC1(c2cccc(-c3csc(NC(CN)=C4CCC4)n3)n2)CCOCC1
InChIInChI=1S/C20H26N4OS/c1-20(8-10-25-11-9-20)18-7-3-6-15(22-18)17-13-26-19(24-17)23-16(12-21)14-4-2-5-14/h3,6-7,13H,2,4-5,8-12,21H2,1H3,(H,23,24)
InChIKeyWLBTVUPIFMHQTR-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.08
Rot. Bonds5

About 1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine

1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine (PubChem CID 154668085) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
PubChem CID154668085
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
SMILESCC1(c2cccc(-c3csc(NC(CN)=C4CCC4)n3)n2)CCOCC1
InChIInChI=1S/C20H26N4OS/c1-20(8-10-25-11-9-20)18-7-3-6-15(22-18)17-13-26-19(24-17)23-16(12-21)14-4-2-5-14/h3,6-7,13H,2,4-5,8-12,21H2,1H3,(H,23,24)
InChIKeyWLBTVUPIFMHQTR-UHFFFAOYSA-N
XLogP4.08
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine?
The IUPAC name of 1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine (CID 154668085) is 1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine is CC1(c2cccc(-c3csc(NC(CN)=C4CCC4)n3)n2)CCOCC1.
What is the InChIKey of 1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine?
The InChIKey is WLBTVUPIFMHQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-20(8-10-25-11-9-20)18-7-3-6-15(22-18)17-13-26-19(24-17)23-16(12-21)14-4-2-5-14/h3,6-7,13H,2,4-5,8-12,21H2,1H3,(H,23,24).
What are the key properties of 1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine?
1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine has a molecular weight of 370.52 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylidene-N-[4-[6-(4-methyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 154668085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).