5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine

C10H14N4S2 — CID 115924677

IUPAC5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1ncc(CNc2nnc(CC)s2)s1
InChIInChI=1S/C10H14N4S2/c1-3-8-11-5-7(15-8)6-12-10-14-13-9(4-2)16-10/h5H,3-4,6H2,1-2H3,(H,12,14)
InChIKeyORRWLZSNDMRLCU-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.73
Rot. Bonds5

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

5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 115924677) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID115924677
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1ncc(CNc2nnc(CC)s2)s1
InChIInChI=1S/C10H14N4S2/c1-3-8-11-5-7(15-8)6-12-10-14-13-9(4-2)16-10/h5H,3-4,6H2,1-2H3,(H,12,14)
InChIKeyORRWLZSNDMRLCU-UHFFFAOYSA-N
XLogP2.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924665
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 115924701
5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924687
5-ethyl-N-(1,3-thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 103933936
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrimidin-5-amine
CID 107588313
N-[(4,5-dibromothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648126
4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883751
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63998554
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 115924677) is 5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is CCc1ncc(CNc2nnc(CC)s2)s1.
What is the InChIKey of 5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ORRWLZSNDMRLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-3-8-11-5-7(15-8)6-12-10-14-13-9(4-2)16-10/h5H,3-4,6H2,1-2H3,(H,12,14).
What are the key properties of 5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 254.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115924677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).