2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole

C12H17N5S2 — CID 17354888

IUPAC2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole
SMILESCCCN1CN(c2nccs2)CN(c2nccs2)C1
InChIInChI=1S/C12H17N5S2/c1-2-5-15-8-16(11-13-3-6-18-11)10-17(9-15)12-14-4-7-19-12/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeySHRSXZFZGIJOKB-UHFFFAOYSA-N
MW295.44 g/mol
LogP2.51
Rot. Bonds4

About 2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole

2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole (PubChem CID 17354888) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole
PubChem CID17354888
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole
SMILESCCCN1CN(c2nccs2)CN(c2nccs2)C1
InChIInChI=1S/C12H17N5S2/c1-2-5-15-8-16(11-13-3-6-18-11)10-17(9-15)12-14-4-7-19-12/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeySHRSXZFZGIJOKB-UHFFFAOYSA-N
XLogP2.51
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole (CID 17354888) is 2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole is CCCN1CN(c2nccs2)CN(c2nccs2)C1.
What is the InChIKey of 2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole?
The InChIKey is SHRSXZFZGIJOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-2-5-15-8-16(11-13-3-6-18-11)10-17(9-15)12-14-4-7-19-12/h3-4,6-7H,2,5,8-10H2,1H3.
What are the key properties of 2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole?
2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole has a molecular weight of 295.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-propyl-5-(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]-1,3-thiazole is sourced from PubChem (CID 17354888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).