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

C15H22N4S — CID 103365005

IUPAC4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine
SMILESCC(CNc1snc(N)c1-c1ccncc1)C(C)(C)C
InChIInChI=1S/C15H22N4S/c1-10(15(2,3)4)9-18-14-12(13(16)19-20-14)11-5-7-17-8-6-11/h5-8,10,18H,9H2,1-4H3,(H2,16,19)
InChIKeyRMZKIZXFKLLTMS-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.88
Rot. Bonds4

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

4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365005) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine
PubChem CID103365005
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine
SMILESCC(CNc1snc(N)c1-c1ccncc1)C(C)(C)C
InChIInChI=1S/C15H22N4S/c1-10(15(2,3)4)9-18-14-12(13(16)19-20-14)11-5-7-17-8-6-11/h5-8,10,18H,9H2,1-4H3,(H2,16,19)
InChIKeyRMZKIZXFKLLTMS-UHFFFAOYSA-N
XLogP3.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine (CID 103365005) is 4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine is CC(CNc1snc(N)c1-c1ccncc1)C(C)(C)C.
What is the InChIKey of 4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is RMZKIZXFKLLTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-10(15(2,3)4)9-18-14-12(13(16)19-20-14)11-5-7-17-8-6-11/h5-8,10,18H,9H2,1-4H3,(H2,16,19).
What are the key properties of 4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine?
4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).