(1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C22H24N2OS — CID 31558709

IUPAC(1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1nc(COc2ccc(CN[C@@H]3CCCc4ccccc43)cc2)cs1
InChIInChI=1S/C22H24N2OS/c1-16-24-19(15-26-16)14-25-20-11-9-17(10-12-20)13-23-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-12,15,22-23H,4,6,8,13-14H2,1H3/t22-/m1/s1
InChIKeyWOPGYJBWBVQHQI-JOCHJYFZSA-N
MW364.51 g/mol
LogP5.20
Rot. Bonds6

About (1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 31558709) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID31558709
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1nc(COc2ccc(CN[C@@H]3CCCc4ccccc43)cc2)cs1
InChIInChI=1S/C22H24N2OS/c1-16-24-19(15-26-16)14-25-20-11-9-17(10-12-20)13-23-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-12,15,22-23H,4,6,8,13-14H2,1H3/t22-/m1/s1
InChIKeyWOPGYJBWBVQHQI-JOCHJYFZSA-N
XLogP5.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43183561
3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]azepan-2-one
CID 56797273
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 71916244
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63279810
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63280017
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46649402
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80708052
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113425863
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine
CID 8851200

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 31558709) is (1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1nc(COc2ccc(CN[C@@H]3CCCc4ccccc43)cc2)cs1.
What is the InChIKey of (1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WOPGYJBWBVQHQI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-16-24-19(15-26-16)14-25-20-11-9-17(10-12-20)13-23-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-12,15,22-23H,4,6,8,13-14H2,1H3/t22-/m1/s1.
What are the key properties of (1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 364.51 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 31558709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).