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

C12H18N4OS2 — CID 82425681

IUPAC5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2sc(CCOC)nc2C)s1
InChIInChI=1S/C12H18N4OS2/c1-4-6-13-12-16-15-11(19-12)10-8(2)14-9(18-10)5-7-17-3/h4-7H2,1-3H3,(H,13,16)
InChIKeyDFXDZOOWERKEOC-UHFFFAOYSA-N
MW298.44 g/mol
LogP2.98
Rot. Bonds7

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

5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 82425681) has the molecular formula C12H18N4OS2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID82425681
Molecular FormulaC12H18N4OS2
Molecular Weight298.44 g/mol
Exact Mass298.09
IUPAC Name5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2sc(CCOC)nc2C)s1
InChIInChI=1S/C12H18N4OS2/c1-4-6-13-12-16-15-11(19-12)10-8(2)14-9(18-10)5-7-17-3/h4-7H2,1-3H3,(H,13,16)
InChIKeyDFXDZOOWERKEOC-UHFFFAOYSA-N
XLogP2.98
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425679
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425677
N-(2-methylpropyl)-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425775
N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425771
5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82431302
N-(2-methoxyethyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422489
5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424575
5-(4-ethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 82428087
5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82436910
5-[2-(2-methoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82440063
N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82426550
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306125

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 82425681) is 5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2sc(CCOC)nc2C)s1.
What is the InChIKey of 5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DFXDZOOWERKEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS2/c1-4-6-13-12-16-15-11(19-12)10-8(2)14-9(18-10)5-7-17-3/h4-7H2,1-3H3,(H,13,16).
What are the key properties of 5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 298.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82425681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).