4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

C9H9ClN4O2S — CID 106383043

IUPAC4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOc1c(Cl)ncnc1NCc1csc(=O)[nH]1
InChIInChI=1S/C9H9ClN4O2S/c1-16-6-7(10)12-4-13-8(6)11-2-5-3-17-9(15)14-5/h3-4H,2H2,1H3,(H,14,15)(H,11,12,13)
InChIKeySMTMRDYFUNDCHK-UHFFFAOYSA-N
MW272.72 g/mol
LogP1.50
Rot. Bonds4

About 4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383043) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106383043
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOc1c(Cl)ncnc1NCc1csc(=O)[nH]1
InChIInChI=1S/C9H9ClN4O2S/c1-16-6-7(10)12-4-13-8(6)11-2-5-3-17-9(15)14-5/h3-4H,2H2,1H3,(H,14,15)(H,11,12,13)
InChIKeySMTMRDYFUNDCHK-UHFFFAOYSA-N
XLogP1.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(5-amino-6-chloropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379356
4-[[(6-chloro-5-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181739
4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803553
4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384084
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383057
6-chloro-5-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193149
4-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181611
4-[[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384196
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384162
4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181566
6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897364

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106383043) is 4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is COc1c(Cl)ncnc1NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SMTMRDYFUNDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c1-16-6-7(10)12-4-13-8(6)11-2-5-3-17-9(15)14-5/h3-4H,2H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 272.72 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).