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

C13H22N2S2 — CID 61330052

IUPACN-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine
SMILESCCNC1(c2nc(CC)c(C)s2)CCSCC1
InChIInChI=1S/C13H22N2S2/c1-4-11-10(3)17-12(15-11)13(14-5-2)6-8-16-9-7-13/h14H,4-9H2,1-3H3
InChIKeyJSVNFFPSXKONHF-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.35
Rot. Bonds4

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

N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine (PubChem CID 61330052) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine
PubChem CID61330052
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC NameN-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine
SMILESCCNC1(c2nc(CC)c(C)s2)CCSCC1
InChIInChI=1S/C13H22N2S2/c1-4-11-10(3)17-12(15-11)13(14-5-2)6-8-16-9-7-13/h14H,4-9H2,1-3H3
InChIKeyJSVNFFPSXKONHF-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine?
The IUPAC name of N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine (CID 61330052) is N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine.
What is the SMILES notation for N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine?
The canonical SMILES for N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine is CCNC1(c2nc(CC)c(C)s2)CCSCC1.
What is the InChIKey of N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine?
The InChIKey is JSVNFFPSXKONHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-4-11-10(3)17-12(15-11)13(14-5-2)6-8-16-9-7-13/h14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine?
N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine has a molecular weight of 270.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine is sourced from PubChem (CID 61330052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).