(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine

C14H16N2S — CID 114604148

IUPAC(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine
SMILESNC(c1cscn1)c1ccccc1C1CCC1
InChIInChI=1S/C14H16N2S/c15-14(13-8-17-9-16-13)12-7-2-1-6-11(12)10-4-3-5-10/h1-2,6-10,14H,3-5,15H2
InChIKeyLWIDAYBNRPTYIN-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.46
Rot. Bonds3

About (2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine

(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine (PubChem CID 114604148) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine
PubChem CID114604148
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine
SMILESNC(c1cscn1)c1ccccc1C1CCC1
InChIInChI=1S/C14H16N2S/c15-14(13-8-17-9-16-13)12-7-2-1-6-11(12)10-4-3-5-10/h1-2,6-10,14H,3-5,15H2
InChIKeyLWIDAYBNRPTYIN-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 114604077
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine
CID 105052203
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503001
7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine
CID 105052437
(2-cyclobutylphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 114604475
(4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine
CID 105188819
(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 114603457
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine (CID 114604148) is (2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine is NC(c1cscn1)c1ccccc1C1CCC1.
What is the InChIKey of (2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine?
The InChIKey is LWIDAYBNRPTYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c15-14(13-8-17-9-16-13)12-7-2-1-6-11(12)10-4-3-5-10/h1-2,6-10,14H,3-5,15H2.
What are the key properties of (2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine?
(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 114604148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).