1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea

C11H18N6OS — CID 133108072

IUPAC1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea
SMILESCN(CC1CC(C2CC2)NN1)C(=O)Nc1cnns1
InChIInChI=1S/C11H18N6OS/c1-17(11(18)13-10-5-12-16-19-10)6-8-4-9(15-14-8)7-2-3-7/h5,7-9,14-15H,2-4,6H2,1H3,(H,13,18)
InChIKeyDNIMYTIDQBGELH-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.65
Rot. Bonds4

About 1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea

1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea (PubChem CID 133108072) has the molecular formula C11H18N6OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea
PubChem CID133108072
Molecular FormulaC11H18N6OS
Molecular Weight282.37 g/mol
Exact Mass282.13
IUPAC Name1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea
SMILESCN(CC1CC(C2CC2)NN1)C(=O)Nc1cnns1
InChIInChI=1S/C11H18N6OS/c1-17(11(18)13-10-5-12-16-19-10)6-8-4-9(15-14-8)7-2-3-7/h5,7-9,14-15H,2-4,6H2,1H3,(H,13,18)
InChIKeyDNIMYTIDQBGELH-UHFFFAOYSA-N
XLogP0.65
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea (CID 133108072) is 1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea is CN(CC1CC(C2CC2)NN1)C(=O)Nc1cnns1.
What is the InChIKey of 1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea?
The InChIKey is DNIMYTIDQBGELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6OS/c1-17(11(18)13-10-5-12-16-19-10)6-8-4-9(15-14-8)7-2-3-7/h5,7-9,14-15H,2-4,6H2,1H3,(H,13,18).
What are the key properties of 1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea?
1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea has a molecular weight of 282.37 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropylpyrazolidin-3-yl)methyl]-1-methyl-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 133108072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).