N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine

C19H28N6S — CID 70753572

IUPACN,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(N2CCC3(CCCN3Cc3cnc(N(C)C)s3)CC2)nn1
InChIInChI=1S/C19H28N6S/c1-15-5-6-17(22-21-15)24-11-8-19(9-12-24)7-4-10-25(19)14-16-13-20-18(26-16)23(2)3/h5-6,13H,4,7-12,14H2,1-3H3
InChIKeyOSMGIBZANJBBEC-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.94
Rot. Bonds4

About N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine

N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 70753572) has the molecular formula C19H28N6S and a molecular weight of 372.54 g/mol. Its IUPAC name is N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID70753572
Molecular FormulaC19H28N6S
Molecular Weight372.54 g/mol
Exact Mass372.21
IUPAC NameN,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(N2CCC3(CCCN3Cc3cnc(N(C)C)s3)CC2)nn1
InChIInChI=1S/C19H28N6S/c1-15-5-6-17(22-21-15)24-11-8-19(9-12-24)7-4-10-25(19)14-16-13-20-18(26-16)23(2)3/h5-6,13H,4,7-12,14H2,1-3H3
InChIKeyOSMGIBZANJBBEC-UHFFFAOYSA-N
XLogP2.94
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine (CID 70753572) is N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine is Cc1ccc(N2CCC3(CCCN3Cc3cnc(N(C)C)s3)CC2)nn1.
What is the InChIKey of N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is OSMGIBZANJBBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6S/c1-15-5-6-17(22-21-15)24-11-8-19(9-12-24)7-4-10-25(19)14-16-13-20-18(26-16)23(2)3/h5-6,13H,4,7-12,14H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 372.54 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 70753572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).