4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine

C14H13N3S — CID 43637194

IUPAC4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1cccc2cccnc12
InChIInChI=1S/C14H13N3S/c1-9-12(18-14(15)17-9)8-11-5-2-4-10-6-3-7-16-13(10)11/h2-7H,8H2,1H3,(H2,15,17)
InChIKeyLUERSSDJWAXVPN-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.17
Rot. Bonds2

About 4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine

4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 43637194) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine
PubChem CID43637194
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1cccc2cccnc12
InChIInChI=1S/C14H13N3S/c1-9-12(18-14(15)17-9)8-11-5-2-4-10-6-3-7-16-13(10)11/h2-7H,8H2,1H3,(H2,15,17)
InChIKeyLUERSSDJWAXVPN-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
CID 43637199
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 43637201
5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637240
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
5-[(2-chloro-6-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 66250186
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
1-quinolin-8-ylpropan-2-amine
CID 63968867
2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine
CID 81426142
3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
CID 79542110
ethyl 2-quinolin-8-ylacetate
CID 52562898

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine (CID 43637194) is 4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1Cc1cccc2cccnc12.
What is the InChIKey of 4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is LUERSSDJWAXVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-9-12(18-14(15)17-9)8-11-5-2-4-10-6-3-7-16-13(10)11/h2-7H,8H2,1H3,(H2,15,17).
What are the key properties of 4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine?
4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 43637194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).