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

C12H12N4OS2 — CID 82424522

IUPAC5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cnc(-c3ccco3)s2)s1
InChIInChI=1S/C12H12N4OS2/c1-2-5-13-12-16-15-11(19-12)9-7-14-10(18-9)8-4-3-6-17-8/h3-4,6-7H,2,5H2,1H3,(H,13,16)
InChIKeyMVNNBPPVZQQFCV-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.74
Rot. Bonds5

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

5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 82424522) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID82424522
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cnc(-c3ccco3)s2)s1
InChIInChI=1S/C12H12N4OS2/c1-2-5-13-12-16-15-11(19-12)9-7-14-10(18-9)8-4-3-6-17-8/h3-4,6-7H,2,5H2,1H3,(H,13,16)
InChIKeyMVNNBPPVZQQFCV-UHFFFAOYSA-N
XLogP3.74
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82424489
N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282727
5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82423523
5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424575
5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82423311
5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734394
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771182
N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424494
5-(4-aminophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 5270660
5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734601
[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
CID 71374888
N-(2-methylpropyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422487

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 82424522) is 5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cnc(-c3ccco3)s2)s1.
What is the InChIKey of 5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MVNNBPPVZQQFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-2-5-13-12-16-15-11(19-12)9-7-14-10(18-9)8-4-3-6-17-8/h3-4,6-7H,2,5H2,1H3,(H,13,16).
What are the key properties of 5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 292.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82424522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).