4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

C7H6ClN3OS2 — CID 106381978

IUPAC4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2nc(Cl)cs2)cs1
InChIInChI=1S/C7H6ClN3OS2/c8-5-3-13-6(11-5)9-1-4-2-14-7(12)10-4/h2-3H,1H2,(H,9,11)(H,10,12)
InChIKeyFNRGGBOWKAMEFW-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.16
Rot. Bonds3

About 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381978) has the molecular formula C7H6ClN3OS2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381978
Molecular FormulaC7H6ClN3OS2
Molecular Weight247.73 g/mol
Exact Mass246.96
IUPAC Name4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2nc(Cl)cs2)cs1
InChIInChI=1S/C7H6ClN3OS2/c8-5-3-13-6(11-5)9-1-4-2-14-7(12)10-4/h2-3H,1H2,(H,9,11)(H,10,12)
InChIKeyFNRGGBOWKAMEFW-UHFFFAOYSA-N
XLogP2.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381996
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383057
4-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384083
4-[[(5-amino-6-chloropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379356
4-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379387
5-acetyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 114181846
4-[[(5-methyl-1,3-benzothiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382534
4-[[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382261
4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382050
4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384162
4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380837

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381978) is 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNc2nc(Cl)cs2)cs1.
What is the InChIKey of 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FNRGGBOWKAMEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3OS2/c8-5-3-13-6(11-5)9-1-4-2-14-7(12)10-4/h2-3H,1H2,(H,9,11)(H,10,12).
What are the key properties of 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 247.73 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).