4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole

C17H25F2N3S — CID 131662258

IUPAC4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCC3(C2)CN(CC2CC2)CCC3(F)F)cs1
InChIInChI=1S/C17H25F2N3S/c1-13-20-15(10-23-13)9-22-6-4-16(12-22)11-21(8-14-2-3-14)7-5-17(16,18)19/h10,14H,2-9,11-12H2,1H3
InChIKeyDKKBWEQEWQMDDD-UHFFFAOYSA-N
MW341.47 g/mol
LogP3.39
Rot. Bonds4

About 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole

4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 131662258) has the molecular formula C17H25F2N3S and a molecular weight of 341.47 g/mol. Its IUPAC name is 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID131662258
Molecular FormulaC17H25F2N3S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC Name4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCC3(C2)CN(CC2CC2)CCC3(F)F)cs1
InChIInChI=1S/C17H25F2N3S/c1-13-20-15(10-23-13)9-22-6-4-16(12-22)11-21(8-14-2-3-14)7-5-17(16,18)19/h10,14H,2-9,11-12H2,1H3
InChIKeyDKKBWEQEWQMDDD-UHFFFAOYSA-N
XLogP3.39
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

4-[(4-Propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 58395264
4-[(4-Tert-butylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 58395343
4-[(4-Methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 68260724
4-[(4-Ethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 68261207
2-[(4-Tert-butylpiperidin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 172172551
2-Ethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53513522
2-Propyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53513624
[4-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 65530158
N-[[4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 65530341
N-methyl-1-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 65530735
N-[[4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 65530922
N-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 65531318

Frequently Asked Questions

What is the IUPAC name of 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole (CID 131662258) is 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCC3(C2)CN(CC2CC2)CCC3(F)F)cs1.
What is the InChIKey of 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is DKKBWEQEWQMDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3S/c1-13-20-15(10-23-13)9-22-6-4-16(12-22)11-21(8-14-2-3-14)7-5-17(16,18)19/h10,14H,2-9,11-12H2,1H3.
What are the key properties of 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole?
4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 341.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 131662258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).