5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C14H14N4S2 — CID 103364656

IUPAC5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCc1ccsc1CNc1snc(N)c1-c1cccnc1
InChIInChI=1S/C14H14N4S2/c1-9-4-6-19-11(9)8-17-14-12(13(15)18-20-14)10-3-2-5-16-7-10/h2-7,17H,8H2,1H3,(H2,15,18)
InChIKeyJQQMBXXFJYFIOW-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.77
Rot. Bonds4

About 5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103364656) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103364656
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCc1ccsc1CNc1snc(N)c1-c1cccnc1
InChIInChI=1S/C14H14N4S2/c1-9-4-6-19-11(9)8-17-14-12(13(15)18-20-14)10-3-2-5-16-7-10/h2-7,17H,8H2,1H3,(H2,15,18)
InChIKeyJQQMBXXFJYFIOW-UHFFFAOYSA-N
XLogP3.77
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103364656) is 5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is Cc1ccsc1CNc1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is JQQMBXXFJYFIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-9-4-6-19-11(9)8-17-14-12(13(15)18-20-14)10-3-2-5-16-7-10/h2-7,17H,8H2,1H3,(H2,15,18).
What are the key properties of 5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 302.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).