2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole

C14H19N5S2 — CID 118743185

IUPAC2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESc1csc(CN2CCC3(CCCN(c4nncs4)C3)C2)n1
InChIInChI=1S/C14H19N5S2/c1-2-14(10-19(5-1)13-17-16-11-21-13)3-6-18(9-14)8-12-15-4-7-20-12/h4,7,11H,1-3,5-6,8-10H2
InChIKeyLSTRMKYWNKLTOP-UHFFFAOYSA-N
MW321.48 g/mol
LogP2.49
Rot. Bonds3

About 2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole

2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (PubChem CID 118743185) has the molecular formula C14H19N5S2 and a molecular weight of 321.48 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
PubChem CID118743185
Molecular FormulaC14H19N5S2
Molecular Weight321.48 g/mol
Exact Mass321.11
IUPAC Name2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESc1csc(CN2CCC3(CCCN(c4nncs4)C3)C2)n1
InChIInChI=1S/C14H19N5S2/c1-2-14(10-19(5-1)13-17-16-11-21-13)3-6-18(9-14)8-12-15-4-7-20-12/h4,7,11H,1-3,5-6,8-10H2
InChIKeyLSTRMKYWNKLTOP-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (CID 118743185) is 2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is c1csc(CN2CCC3(CCCN(c4nncs4)C3)C2)n1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The InChIKey is LSTRMKYWNKLTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S2/c1-2-14(10-19(5-1)13-17-16-11-21-13)3-6-18(9-14)8-12-15-4-7-20-12/h4,7,11H,1-3,5-6,8-10H2.
What are the key properties of 2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole has a molecular weight of 321.48 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 118743185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).