2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole

C13H21N3S — CID 97393771

IUPAC2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole
SMILESCN1CCC2(CCCN(c3nccs3)C2)CC1
InChIInChI=1S/C13H21N3S/c1-15-8-4-13(5-9-15)3-2-7-16(11-13)12-14-6-10-17-12/h6,10H,2-5,7-9,11H2,1H3
InChIKeyHKKPTFSBMVLLHP-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.46
Rot. Bonds1

About 2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole

2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole (PubChem CID 97393771) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole
PubChem CID97393771
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole
SMILESCN1CCC2(CCCN(c3nccs3)C2)CC1
InChIInChI=1S/C13H21N3S/c1-15-8-4-13(5-9-15)3-2-7-16(11-13)12-14-6-10-17-12/h6,10H,2-5,7-9,11H2,1H3
InChIKeyHKKPTFSBMVLLHP-UHFFFAOYSA-N
XLogP2.46
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,7-diazaspiro[4.5]decan-7-yl)-1,3-thiazole
CID 122559168
9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138380428
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol
CID 97472802
(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494547
[1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
CID 62975822
(6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97148493
[(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 97150514
2-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 118639949
(6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494895
2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane
CID 131132191
3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane
CID 131641802

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole (CID 97393771) is 2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole is CN1CCC2(CCCN(c3nccs3)C2)CC1.
What is the InChIKey of 2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole?
The InChIKey is HKKPTFSBMVLLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-15-8-4-13(5-9-15)3-2-7-16(11-13)12-14-6-10-17-12/h6,10H,2-5,7-9,11H2,1H3.
What are the key properties of 2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole?
2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole is sourced from PubChem (CID 97393771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).