5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H15N5S3 — CID 79774150

IUPAC5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1ncc(CSc2nnc(N(C)C)s2)s1
InChIInChI=1S/C10H15N5S3/c1-4-11-8-12-5-7(17-8)6-16-10-14-13-9(18-10)15(2)3/h5H,4,6H2,1-3H3,(H,11,12)
InChIKeyYEPCMYWEFHDIFV-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.78
Rot. Bonds6

About 5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 79774150) has the molecular formula C10H15N5S3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID79774150
Molecular FormulaC10H15N5S3
Molecular Weight301.47 g/mol
Exact Mass301.05
IUPAC Name5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1ncc(CSc2nnc(N(C)C)s2)s1
InChIInChI=1S/C10H15N5S3/c1-4-11-8-12-5-7(17-8)6-16-10-14-13-9(18-10)15(2)3/h5H,4,6H2,1-3H3,(H,11,12)
InChIKeyYEPCMYWEFHDIFV-UHFFFAOYSA-N
XLogP2.78
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 79774150) is 5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCNc1ncc(CSc2nnc(N(C)C)s2)s1.
What is the InChIKey of 5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YEPCMYWEFHDIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S3/c1-4-11-8-12-5-7(17-8)6-16-10-14-13-9(18-10)15(2)3/h5H,4,6H2,1-3H3,(H,11,12).
What are the key properties of 5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 301.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79774150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).