1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane

C16H23N5OS2 — CID 97396343

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOCC23CCN(Cc2csnn2)CC3)cs1
InChIInChI=1S/C16H23N5OS2/c1-13-17-14(10-23-13)9-21-6-7-22-12-16(21)2-4-20(5-3-16)8-15-11-24-19-18-15/h10-11H,2-9,12H2,1H3
InChIKeyMXKNHICEIGUFNB-UHFFFAOYSA-N
MW365.53 g/mol
LogP2.17
Rot. Bonds4

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396343) has the molecular formula C16H23N5OS2 and a molecular weight of 365.53 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396343
Molecular FormulaC16H23N5OS2
Molecular Weight365.53 g/mol
Exact Mass365.13
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOCC23CCN(Cc2csnn2)CC3)cs1
InChIInChI=1S/C16H23N5OS2/c1-13-17-14(10-23-13)9-21-6-7-22-12-16(21)2-4-20(5-3-16)8-15-11-24-19-18-15/h10-11H,2-9,12H2,1H3
InChIKeyMXKNHICEIGUFNB-UHFFFAOYSA-N
XLogP2.17
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396343) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is Cc1nc(CN2CCOCC23CCN(Cc2csnn2)CC3)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is MXKNHICEIGUFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS2/c1-13-17-14(10-23-13)9-21-6-7-22-12-16(21)2-4-20(5-3-16)8-15-11-24-19-18-15/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 365.53 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).