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

C11H17N5S2 — CID 80608424

IUPACN-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(C)Cc2scnc2C)s1
InChIInChI=1S/C11H17N5S2/c1-4-12-11-15-14-10(18-11)6-16(3)5-9-8(2)13-7-17-9/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyJZNALYDVVRFLLM-UHFFFAOYSA-N
MW283.43 g/mol
LogP2.37
Rot. Bonds6

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

N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80608424) has the molecular formula C11H17N5S2 and a molecular weight of 283.43 g/mol. Its IUPAC name is N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80608424
Molecular FormulaC11H17N5S2
Molecular Weight283.43 g/mol
Exact Mass283.09
IUPAC NameN-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(C)Cc2scnc2C)s1
InChIInChI=1S/C11H17N5S2/c1-4-12-11-15-14-10(18-11)6-16(3)5-9-8(2)13-7-17-9/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyJZNALYDVVRFLLM-UHFFFAOYSA-N
XLogP2.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80608424) is N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN(C)Cc2scnc2C)s1.
What is the InChIKey of N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JZNALYDVVRFLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S2/c1-4-12-11-15-14-10(18-11)6-16(3)5-9-8(2)13-7-17-9/h7H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 283.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).