1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea

C11H14N6OS — CID 30897900

IUPAC1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NCC1(Cn2cccn2)CC1)Nc1nncs1
InChIInChI=1S/C11H14N6OS/c18-9(15-10-16-13-8-19-10)12-6-11(2-3-11)7-17-5-1-4-14-17/h1,4-5,8H,2-3,6-7H2,(H2,12,15,16,18)
InChIKeySAEYWYIKYKAOIX-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.34
Rot. Bonds5

About 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 30897900) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID30897900
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NCC1(Cn2cccn2)CC1)Nc1nncs1
InChIInChI=1S/C11H14N6OS/c18-9(15-10-16-13-8-19-10)12-6-11(2-3-11)7-17-5-1-4-14-17/h1,4-5,8H,2-3,6-7H2,(H2,12,15,16,18)
InChIKeySAEYWYIKYKAOIX-UHFFFAOYSA-N
XLogP1.34
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191680
3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122559752
1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
CID 72929088
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide
CID 56743555
2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91774286
1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
CID 29184093
(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
CID 126433749
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91783003
2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095
2-methoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 122568384
5-ethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 122563230
6-amino-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 91762623

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 30897900) is 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea is O=C(NCC1(Cn2cccn2)CC1)Nc1nncs1.
What is the InChIKey of 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is SAEYWYIKYKAOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c18-9(15-10-16-13-8-19-10)12-6-11(2-3-11)7-17-5-1-4-14-17/h1,4-5,8H,2-3,6-7H2,(H2,12,15,16,18).
What are the key properties of 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 278.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 30897900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).