4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine

C14H18N4S2 — CID 103365325

IUPAC4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCSCC2)c1-c1cccnc1
InChIInChI=1S/C14H18N4S2/c15-13-12(11-2-1-5-16-9-11)14(20-18-13)17-8-10-3-6-19-7-4-10/h1-2,5,9-10,17H,3-4,6-8H2,(H2,15,18)
InChIKeyPXTWPXQIDZHPPK-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.34
Rot. Bonds4

About 4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine

4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365325) has the molecular formula C14H18N4S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103365325
Molecular FormulaC14H18N4S2
Molecular Weight306.46 g/mol
Exact Mass306.10
IUPAC Name4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCSCC2)c1-c1cccnc1
InChIInChI=1S/C14H18N4S2/c15-13-12(11-2-1-5-16-9-11)14(20-18-13)17-8-10-3-6-19-7-4-10/h1-2,5,9-10,17H,3-4,6-8H2,(H2,15,18)
InChIKeyPXTWPXQIDZHPPK-UHFFFAOYSA-N
XLogP3.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103365325) is 4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCC2CCSCC2)c1-c1cccnc1.
What is the InChIKey of 4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is PXTWPXQIDZHPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2/c15-13-12(11-2-1-5-16-9-11)14(20-18-13)17-8-10-3-6-19-7-4-10/h1-2,5,9-10,17H,3-4,6-8H2,(H2,15,18).
What are the key properties of 4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine?
4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 306.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).