1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

C11H14N6O2S — CID 124738907

IUPAC1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESCOc1nnc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)s1
InChIInChI=1S/C11H14N6O2S/c1-19-11-17-16-10(20-11)14-9(18)13-7-2-3-8-6(4-7)5-12-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,13,14,16,18)/t7-/m1/s1
InChIKeyRTGPVCCSBUXWBW-SSDOTTSWSA-N
MW294.34 g/mol
LogP0.95
Rot. Bonds3

About 1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (PubChem CID 124738907) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
PubChem CID124738907
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESCOc1nnc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)s1
InChIInChI=1S/C11H14N6O2S/c1-19-11-17-16-10(20-11)14-9(18)13-7-2-3-8-6(4-7)5-12-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,13,14,16,18)/t7-/m1/s1
InChIKeyRTGPVCCSBUXWBW-SSDOTTSWSA-N
XLogP0.95
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
CID 167920137
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327551
1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327583
1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327595
1-(5-phenyl-1,2-oxazol-3-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327533
1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 86804058
methyl 5-[[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]carbamoylamino]thiophene-3-carboxylate
CID 124889142
1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75515741
2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
CID 124728391
N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 115894209
N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide
CID 124578647
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124852777

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The IUPAC name of 1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (CID 124738907) is 1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.
What is the SMILES notation for 1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The canonical SMILES for 1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is COc1nnc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)s1.
What is the InChIKey of 1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The InChIKey is RTGPVCCSBUXWBW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-19-11-17-16-10(20-11)14-9(18)13-7-2-3-8-6(4-7)5-12-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,13,14,16,18)/t7-/m1/s1.
What are the key properties of 1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea has a molecular weight of 294.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is sourced from PubChem (CID 124738907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).