N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine

C18H20N2S — CID 61330849

IUPACN-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine
SMILESCCCNC(c1nc(C)cs1)c1cccc2ccccc12
InChIInChI=1S/C18H20N2S/c1-3-11-19-17(18-20-13(2)12-21-18)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyHKGIYDZQKQDOBT-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.69
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine

N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine (PubChem CID 61330849) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine
PubChem CID61330849
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine
SMILESCCCNC(c1nc(C)cs1)c1cccc2ccccc12
InChIInChI=1S/C18H20N2S/c1-3-11-19-17(18-20-13(2)12-21-18)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyHKGIYDZQKQDOBT-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine
CID 61333875
N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 55108354
N-[(4-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859188
N-[(4-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61330841
N-[naphthalen-1-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62790694
1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 62413912
N-[(3,5-dichlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330656
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
N-[(4-fluoro-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 62121915
N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330839
1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
CID 115995796
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine (CID 61330849) is N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine is CCCNC(c1nc(C)cs1)c1cccc2ccccc12.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine?
The InChIKey is HKGIYDZQKQDOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-11-19-17(18-20-13(2)12-21-18)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12,17,19H,3,11H2,1-2H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine?
N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]propan-1-amine is sourced from PubChem (CID 61330849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).