[5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine

C14H13N3S2 — CID 82106424

IUPAC[5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cccs2)c(Cc2ccncc2)s1
InChIInChI=1S/C14H13N3S2/c15-9-13-17-14(11-2-1-7-18-11)12(19-13)8-10-3-5-16-6-4-10/h1-7H,8-9,15H2
InChIKeyVYSBNGAQLQHDLE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.32
Rot. Bonds4

About [5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine

[5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine (PubChem CID 82106424) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is [5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine
PubChem CID82106424
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name[5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cccs2)c(Cc2ccncc2)s1
InChIInChI=1S/C14H13N3S2/c15-9-13-17-14(11-2-1-7-18-11)12(19-13)8-10-3-5-16-6-4-10/h1-7H,8-9,15H2
InChIKeyVYSBNGAQLQHDLE-UHFFFAOYSA-N
XLogP3.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106468
[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106482
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106451
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596
2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069570
[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106460
[4-(methoxymethyl)-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361593
[5-(pyridin-2-ylmethyl)-4-thiophen-3-yl-1,3-thiazol-2-yl]methanamine
CID 82106433
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 46736490
2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
CID 39356102

Frequently Asked Questions

What is the IUPAC name of [5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine (CID 82106424) is [5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2cccs2)c(Cc2ccncc2)s1.
What is the InChIKey of [5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine?
The InChIKey is VYSBNGAQLQHDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c15-9-13-17-14(11-2-1-7-18-11)12(19-13)8-10-3-5-16-6-4-10/h1-7H,8-9,15H2.
What are the key properties of [5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine?
[5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82106424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).