4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine

C13H19N3S2 — CID 82431258

IUPAC4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2sc(C)nc2CCC)cs1
InChIInChI=1S/C13H19N3S2/c1-4-6-10-12(18-9(3)15-10)11-8-17-13(16-11)14-7-5-2/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyIIUBTCVYYZQLFS-UHFFFAOYSA-N
MW281.45 g/mol
LogP4.35
Rot. Bonds6

About 4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine

4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 82431258) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
PubChem CID82431258
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC Name4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2sc(C)nc2CCC)cs1
InChIInChI=1S/C13H19N3S2/c1-4-6-10-12(18-9(3)15-10)11-8-17-13(16-11)14-7-5-2/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyIIUBTCVYYZQLFS-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine (CID 82431258) is 4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2sc(C)nc2CCC)cs1.
What is the InChIKey of 4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is IIUBTCVYYZQLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-4-6-10-12(18-9(3)15-10)11-8-17-13(16-11)14-7-5-2/h8H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 281.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82431258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).