4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride

C16H29Cl2N3S — CID 119933287

IUPAC4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride
SMILESCC(C)c1nc(CN2CCNCC23CCCCC3)cs1.Cl.Cl
InChIInChI=1S/C16H27N3S.2ClH/c1-13(2)15-18-14(11-20-15)10-19-9-8-17-12-16(19)6-4-3-5-7-16;;/h11,13,17H,3-10,12H2,1-2H3;2*1H
InChIKeyUSUOTPCPOJHCOZ-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.22
Rot. Bonds3

About 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride

4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride (PubChem CID 119933287) has the molecular formula C16H29Cl2N3S and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride
PubChem CID119933287
Molecular FormulaC16H29Cl2N3S
Molecular Weight366.40 g/mol
Exact Mass365.15
IUPAC Name4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride
SMILESCC(C)c1nc(CN2CCNCC23CCCCC3)cs1.Cl.Cl
InChIInChI=1S/C16H27N3S.2ClH/c1-13(2)15-18-14(11-20-15)10-19-9-8-17-12-16(19)6-4-3-5-7-16;;/h11,13,17H,3-10,12H2,1-2H3;2*1H
InChIKeyUSUOTPCPOJHCOZ-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride (CID 119933287) is 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride is CC(C)c1nc(CN2CCNCC23CCCCC3)cs1.Cl.Cl.
What is the InChIKey of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride?
The InChIKey is USUOTPCPOJHCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S.2ClH/c1-13(2)15-18-14(11-20-15)10-19-9-8-17-12-16(19)6-4-3-5-7-16;;/h11,13,17H,3-10,12H2,1-2H3;2*1H.
What are the key properties of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride?
4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride has a molecular weight of 366.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 119933287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).