9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one

C20H32N4OS — CID 97398761

IUPAC9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCc1nc(CN2CCN(C)C(=O)C23CCN(CC2CCCC2)CC3)cs1
InChIInChI=1S/C20H32N4OS/c1-16-21-18(15-26-16)14-24-12-11-22(2)19(25)20(24)7-9-23(10-8-20)13-17-5-3-4-6-17/h15,17H,3-14H2,1-2H3
InChIKeyRFZUPYCSLXYOHL-UHFFFAOYSA-N
MW376.57 g/mol
LogP2.75
Rot. Bonds4

About 9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one

9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97398761) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is 9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97398761
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCc1nc(CN2CCN(C)C(=O)C23CCN(CC2CCCC2)CC3)cs1
InChIInChI=1S/C20H32N4OS/c1-16-21-18(15-26-16)14-24-12-11-22(2)19(25)20(24)7-9-23(10-8-20)13-17-5-3-4-6-17/h15,17H,3-14H2,1-2H3
InChIKeyRFZUPYCSLXYOHL-UHFFFAOYSA-N
XLogP2.75
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97398761) is 9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one is Cc1nc(CN2CCN(C)C(=O)C23CCN(CC2CCCC2)CC3)cs1.
What is the InChIKey of 9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is RFZUPYCSLXYOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS/c1-16-21-18(15-26-16)14-24-12-11-22(2)19(25)20(24)7-9-23(10-8-20)13-17-5-3-4-6-17/h15,17H,3-14H2,1-2H3.
What are the key properties of 9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 376.57 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopentylmethyl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97398761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).