N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine

C20H28N4S — CID 72897502

IUPACN-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN2CCC3(CC2)CC(c2ccccc2)CN3C)cs1
InChIInChI=1S/C20H28N4S/c1-21-19-22-18(15-25-19)14-24-10-8-20(9-11-24)12-17(13-23(20)2)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,22)
InChIKeyQHMVWEJIZGAHSZ-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.64
Rot. Bonds4

About N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine

N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 72897502) has the molecular formula C20H28N4S and a molecular weight of 356.54 g/mol. Its IUPAC name is N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine
PubChem CID72897502
Molecular FormulaC20H28N4S
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC NameN-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN2CCC3(CC2)CC(c2ccccc2)CN3C)cs1
InChIInChI=1S/C20H28N4S/c1-21-19-22-18(15-25-19)14-24-10-8-20(9-11-24)12-17(13-23(20)2)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,22)
InChIKeyQHMVWEJIZGAHSZ-UHFFFAOYSA-N
XLogP3.64
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine
CID 97130325
(3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97274872
(3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97282637
methyl 2-[[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylate
CID 97280513
(3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97276503
2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95338960
3-methyl-7-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56912482
N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 13345423
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
(3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469562
[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 97117424
(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124817310

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine (CID 72897502) is N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine is CNc1nc(CN2CCC3(CC2)CC(c2ccccc2)CN3C)cs1.
What is the InChIKey of N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is QHMVWEJIZGAHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4S/c1-21-19-22-18(15-25-19)14-24-10-8-20(9-11-24)12-17(13-23(20)2)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,22).
What are the key properties of N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine?
N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 356.54 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72897502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).