4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one

C6H6N4OS2 — CID 106381996

IUPAC4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2ncns2)cs1
InChIInChI=1S/C6H6N4OS2/c11-6-10-4(2-12-6)1-7-5-8-3-9-13-5/h2-3H,1H2,(H,10,11)(H,7,8,9)
InChIKeyADPNSQAQXIBVPO-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.90
Rot. Bonds3

About 4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381996) has the molecular formula C6H6N4OS2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381996
Molecular FormulaC6H6N4OS2
Molecular Weight214.27 g/mol
Exact Mass214.00
IUPAC Name4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2ncns2)cs1
InChIInChI=1S/C6H6N4OS2/c11-6-10-4(2-12-6)1-7-5-8-3-9-13-5/h2-3H,1H2,(H,10,11)(H,7,8,9)
InChIKeyADPNSQAQXIBVPO-UHFFFAOYSA-N
XLogP0.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381978
4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382050
4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384084
4-[[(5-amino-6-chloropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379356
4-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379427
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106383569
4-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181611
4-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384083
N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65277074
4-[[(6-chloro-5-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181739
4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383043
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027

Frequently Asked Questions

What is the IUPAC name of 4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106381996) is 4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNc2ncns2)cs1.
What is the InChIKey of 4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ADPNSQAQXIBVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS2/c11-6-10-4(2-12-6)1-7-5-8-3-9-13-5/h2-3H,1H2,(H,10,11)(H,7,8,9).
What are the key properties of 4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 214.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).