1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one

C10H13N5OS — CID 80583272

IUPAC1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
SMILESCNc1snnc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H13N5OS/c1-11-9-8(12-13-17-9)6-14-4-5-15(10(14)16)7-2-3-7/h4-5,7,11H,2-3,6H2,1H3
InChIKeyIHDKXPQTZZHWKP-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.93
Rot. Bonds4

About 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one

1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one (PubChem CID 80583272) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
PubChem CID80583272
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
SMILESCNc1snnc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H13N5OS/c1-11-9-8(12-13-17-9)6-14-4-5-15(10(14)16)7-2-3-7/h4-5,7,11H,2-3,6H2,1H3
InChIKeyIHDKXPQTZZHWKP-UHFFFAOYSA-N
XLogP0.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one
CID 107054436
4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione
CID 79506357
N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine
CID 62182093
5-bromo-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62207647
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine
CID 62182946
1-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 55171482
1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one
CID 103438572
4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine
CID 62931824
1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one
CID 116625290
1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one
CID 80654202
2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol
CID 82691379
N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62178560

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one (CID 80583272) is 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one is CNc1snnc1Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
The InChIKey is IHDKXPQTZZHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-11-9-8(12-13-17-9)6-14-4-5-15(10(14)16)7-2-3-7/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one has a molecular weight of 251.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one is sourced from PubChem (CID 80583272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).