1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C12H18N6OS — CID 31192418

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nnc(NC(=O)N[C@@H](C)c2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H18N6OS/c1-6(10-7(2)17-18(5)8(10)3)13-11(19)14-12-16-15-9(4)20-12/h6H,1-5H3,(H2,13,14,16,19)/t6-/m0/s1
InChIKeyYNRRZROVPXFQRQ-LURJTMIESA-N
MW294.38 g/mol
LogP2.08
Rot. Bonds3

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 31192418) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID31192418
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nnc(NC(=O)N[C@@H](C)c2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H18N6OS/c1-6(10-7(2)17-18(5)8(10)3)13-11(19)14-12-16-15-9(4)20-12/h6H,1-5H3,(H2,13,14,16,19)/t6-/m0/s1
InChIKeyYNRRZROVPXFQRQ-LURJTMIESA-N
XLogP2.08
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 31192418) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nnc(NC(=O)N[C@@H](C)c2c(C)nn(C)c2C)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is YNRRZROVPXFQRQ-LURJTMIESA-N. The full InChI is InChI=1S/C12H18N6OS/c1-6(10-7(2)17-18(5)8(10)3)13-11(19)14-12-16-15-9(4)20-12/h6H,1-5H3,(H2,13,14,16,19)/t6-/m0/s1.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 294.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 31192418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).