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

C9H12ClN3OS — CID 130774576

IUPAC1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(Cc2csc(Cl)n2)C1=O
InChIInChI=1S/C9H12ClN3OS/c1-12-3-2-4-13(9(12)14)5-7-6-15-8(10)11-7/h6H,2-5H2,1H3
InChIKeyJLNAHNMYTDPQML-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.05
Rot. Bonds2

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

1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one (PubChem CID 130774576) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one
PubChem CID130774576
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(Cc2csc(Cl)n2)C1=O
InChIInChI=1S/C9H12ClN3OS/c1-12-3-2-4-13(9(12)14)5-7-6-15-8(10)11-7/h6H,2-5H2,1H3
InChIKeyJLNAHNMYTDPQML-UHFFFAOYSA-N
XLogP2.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 171846505
1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
CID 79240754
2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 130552477
2-chloro-4-[(2-methylazepan-1-yl)methyl]-1,3-thiazole
CID 130552539
1-[(3-bromo-1,2-oxazol-5-yl)methyl]-3-methyl-1,3-diazinan-2-one
CID 131076766
3-[(2-chloro-1,3-thiazol-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 130552627
1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one
CID 130722720
[(2S)-1-[(2-chloro-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 130552786
2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride
CID 23566514
1-(2-aminopropyl)-3-methyl-1,3-diazinan-2-one
CID 83816294
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
CID 62885269
1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 59011747

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one (CID 130774576) is 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one is CN1CCCN(Cc2csc(Cl)n2)C1=O.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one?
The InChIKey is JLNAHNMYTDPQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c1-12-3-2-4-13(9(12)14)5-7-6-15-8(10)11-7/h6H,2-5H2,1H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one?
1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one has a molecular weight of 245.73 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 130774576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).