1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea

C15H20N4OS — CID 51945486

IUPAC1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCC(C)c1nnc(NC(=O)N(C)[C@H](C)c2ccccc2)s1
InChIInChI=1S/C15H20N4OS/c1-10(2)13-17-18-14(21-13)16-15(20)19(4)11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,18,20)/t11-/m1/s1
InChIKeyVFJZFJZLYNAPQS-LLVKDONJSA-N
MW304.42 g/mol
LogP3.89
Rot. Bonds4

About 1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea

1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 51945486) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID51945486
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCC(C)c1nnc(NC(=O)N(C)[C@H](C)c2ccccc2)s1
InChIInChI=1S/C15H20N4OS/c1-10(2)13-17-18-14(21-13)16-15(20)19(4)11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,18,20)/t11-/m1/s1
InChIKeyVFJZFJZLYNAPQS-LLVKDONJSA-N
XLogP3.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea (CID 51945486) is 1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea is CC(C)c1nnc(NC(=O)N(C)[C@H](C)c2ccccc2)s1.
What is the InChIKey of 1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is VFJZFJZLYNAPQS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10(2)13-17-18-14(21-13)16-15(20)19(4)11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,18,20)/t11-/m1/s1.
What are the key properties of 1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 304.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 51945486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).