N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine

C21H30N4S — CID 97130325

IUPACN-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)cs1
InChIInChI=1S/C21H30N4S/c1-22-20-23-19(15-26-20)14-25-10-8-21(9-11-25)12-18(13-24(2)16-21)17-6-4-3-5-7-17/h3-7,15,18H,8-14,16H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyIPKHVDZTOSRSHL-GOSISDBHSA-N
MW370.57 g/mol
LogP3.89
Rot. Bonds4

About N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine

N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 97130325) has the molecular formula C21H30N4S and a molecular weight of 370.57 g/mol. Its IUPAC name is N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine
PubChem CID97130325
Molecular FormulaC21H30N4S
Molecular Weight370.57 g/mol
Exact Mass370.22
IUPAC NameN-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)cs1
InChIInChI=1S/C21H30N4S/c1-22-20-23-19(15-26-20)14-25-10-8-21(9-11-25)12-18(13-24(2)16-21)17-6-4-3-5-7-17/h3-7,15,18H,8-14,16H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyIPKHVDZTOSRSHL-GOSISDBHSA-N
XLogP3.89
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine
CID 72897502
4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97113099
(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97150369
3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
CID 97147788
3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
CID 72889845
2-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 72837273
5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 72924688
5-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97148905
4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
CID 72933715
4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 97153293
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine (CID 97130325) is N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine is CNc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)cs1.
What is the InChIKey of N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is IPKHVDZTOSRSHL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N4S/c1-22-20-23-19(15-26-20)14-25-10-8-21(9-11-25)12-18(13-24(2)16-21)17-6-4-3-5-7-17/h3-7,15,18H,8-14,16H2,1-2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine?
N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 370.57 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 97130325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).