1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea

C12H14N6OS — CID 167758562

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea
SMILESO=C(Nc1cc2n(n1)CCC2)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H14N6OS/c19-11(13-9-6-8-2-1-5-18(8)17-9)14-12-16-15-10(20-12)7-3-4-7/h6-7H,1-5H2,(H2,13,14,16,17,19)
InChIKeyYCQYKGNPBCPYES-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.20
Rot. Bonds3

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea (PubChem CID 167758562) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea
PubChem CID167758562
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea
SMILESO=C(Nc1cc2n(n1)CCC2)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H14N6OS/c19-11(13-9-6-8-2-1-5-18(8)17-9)14-12-16-15-10(20-12)7-3-4-7/h6-7H,1-5H2,(H2,13,14,16,17,19)
InChIKeyYCQYKGNPBCPYES-UHFFFAOYSA-N
XLogP2.20
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2932957
1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
CID 808855
1-[(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 167910049
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea
CID 167749021
ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate
CID 122650777
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 52593631
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea
CID 734405
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 39891630
2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 86962950

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea (CID 167758562) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea is O=C(Nc1cc2n(n1)CCC2)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea?
The InChIKey is YCQYKGNPBCPYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c19-11(13-9-6-8-2-1-5-18(8)17-9)14-12-16-15-10(20-12)7-3-4-7/h6-7H,1-5H2,(H2,13,14,16,17,19).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea has a molecular weight of 290.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea is sourced from PubChem (CID 167758562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).