(2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine

C21H26N2S — CID 160640659

IUPAC(2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine
SMILESCc1ncsc1CCCC[C@@H](C)NCc1ccc2ccccc2c1
InChIInChI=1S/C21H26N2S/c1-16(7-3-6-10-21-17(2)23-15-24-21)22-14-18-11-12-19-8-4-5-9-20(19)13-18/h4-5,8-9,11-13,15-16,22H,3,6-7,10,14H2,1-2H3/t16-/m1/s1
InChIKeyRJDAAEDBOQPGTM-MRXNPFEDSA-N
MW338.52 g/mol
LogP5.50
Rot. Bonds8

About (2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine

(2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine (PubChem CID 160640659) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is (2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name(2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine
PubChem CID160640659
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC Name(2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine
SMILESCc1ncsc1CCCC[C@@H](C)NCc1ccc2ccccc2c1
InChIInChI=1S/C21H26N2S/c1-16(7-3-6-10-21-17(2)23-15-24-21)22-14-18-11-12-19-8-4-5-9-20(19)13-18/h4-5,8-9,11-13,15-16,22H,3,6-7,10,14H2,1-2H3/t16-/m1/s1
InChIKeyRJDAAEDBOQPGTM-MRXNPFEDSA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(isoquinolin-6-ylmethyl)-6-(4-phenylphenyl)hexan-2-amine
CID 159200928
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061
1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine
CID 113239115
(2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride
CID 158759020
(2R)-N-(isoquinolin-6-ylmethyl)-6-(1,2-thiazol-3-yl)hexan-2-amine
CID 157247655
(2R)-N-(isoquinolin-6-ylmethyl)-6-thiophen-3-ylhexan-2-amine
CID 159499848
(2R)-6-[4-(2-aminoethyl)phenyl]-N-(isoquinolin-6-ylmethyl)hexan-2-amine
CID 158414323
3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087
1-(6-methoxynaphthalen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63279880
N-(isoquinolin-6-ylmethyl)heptan-2-amine
CID 107037843
2-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-[(propan-2-ylamino)methyl]aniline
CID 63838219
4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 115654323

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine?
The IUPAC name of (2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine (CID 160640659) is (2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine.
What is the SMILES notation for (2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine?
The canonical SMILES for (2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine is Cc1ncsc1CCCC[C@@H](C)NCc1ccc2ccccc2c1.
What is the InChIKey of (2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine?
The InChIKey is RJDAAEDBOQPGTM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2S/c1-16(7-3-6-10-21-17(2)23-15-24-21)22-14-18-11-12-19-8-4-5-9-20(19)13-18/h4-5,8-9,11-13,15-16,22H,3,6-7,10,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine?
(2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine has a molecular weight of 338.52 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine is sourced from PubChem (CID 160640659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).