(5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C19H29N3OS — CID 42213170

IUPAC(5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1csc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1
InChIInChI=1S/C19H29N3OS/c1-14(2)16-12-24-17(20-16)11-21-9-7-19(13-21)6-3-8-22(18(19)23)10-15-4-5-15/h12,14-15H,3-11,13H2,1-2H3/t19-/m1/s1
InChIKeyNZHPLCLAMKGBSX-LJQANCHMSA-N
MW347.53 g/mol
LogP3.49
Rot. Bonds5

About (5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42213170) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is (5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42213170
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name(5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1csc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1
InChIInChI=1S/C19H29N3OS/c1-14(2)16-12-24-17(20-16)11-21-9-7-19(13-21)6-3-8-22(18(19)23)10-15-4-5-15/h12,14-15H,3-11,13H2,1-2H3/t19-/m1/s1
InChIKeyNZHPLCLAMKGBSX-LJQANCHMSA-N
XLogP3.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 42213170) is (5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CC(C)c1csc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1.
What is the InChIKey of (5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NZHPLCLAMKGBSX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-14(2)16-12-24-17(20-16)11-21-9-7-19(13-21)6-3-8-22(18(19)23)10-15-4-5-15/h12,14-15H,3-11,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 347.53 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclopropylmethyl)-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42213170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).