1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea

C11H14N6OS — CID 47191515

IUPAC1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCn1ncc2c1CCCC2NC(=O)Nc1nncs1
InChIInChI=1S/C11H14N6OS/c1-17-9-4-2-3-8(7(9)5-13-17)14-10(18)15-11-16-12-6-19-11/h5-6,8H,2-4H2,1H3,(H2,14,15,16,18)
InChIKeyMQZQDBPUVMMAHI-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.47
Rot. Bonds2

About 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea

1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 47191515) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID47191515
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCn1ncc2c1CCCC2NC(=O)Nc1nncs1
InChIInChI=1S/C11H14N6OS/c1-17-9-4-2-3-8(7(9)5-13-17)14-10(18)15-11-16-12-6-19-11/h5-6,8H,2-4H2,1H3,(H2,14,15,16,18)
InChIKeyMQZQDBPUVMMAHI-UHFFFAOYSA-N
XLogP1.47
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 47026059
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
1-(1,3-benzodioxol-5-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 71942472
1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94164715
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 136523674
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea (CID 47191515) is 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea is Cn1ncc2c1CCCC2NC(=O)Nc1nncs1.
What is the InChIKey of 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is MQZQDBPUVMMAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-17-9-4-2-3-8(7(9)5-13-17)14-10(18)15-11-16-12-6-19-11/h5-6,8H,2-4H2,1H3,(H2,14,15,16,18).
What are the key properties of 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 278.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47191515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).