5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole

C15H25N3S — CID 64950198

IUPAC5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCNC2(CCCCC2)C1
InChIInChI=1S/C15H25N3S/c1-13-14(19-12-16-13)10-18-9-5-8-17-15(11-18)6-3-2-4-7-15/h12,17H,2-11H2,1H3
InChIKeyOZCQTEKAFQQEKW-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.95
Rot. Bonds2

About 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole

5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole (PubChem CID 64950198) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole
PubChem CID64950198
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCNC2(CCCCC2)C1
InChIInChI=1S/C15H25N3S/c1-13-14(19-12-16-13)10-18-9-5-8-17-15(11-18)6-3-2-4-7-15/h12,17H,2-11H2,1H3
InChIKeyOZCQTEKAFQQEKW-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole (CID 64950198) is 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCCNC2(CCCCC2)C1.
What is the InChIKey of 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole?
The InChIKey is OZCQTEKAFQQEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-13-14(19-12-16-13)10-18-9-5-8-17-15(11-18)6-3-2-4-7-15/h12,17H,2-11H2,1H3.
What are the key properties of 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole?
5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 64950198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).