5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine

C18H19N7S — CID 56894137

IUPAC5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1cc(NC(c2ccccc2)c2nnc(N)s2)n2nccc2n1
InChIInChI=1S/C18H19N7S/c1-11(2)13-10-15(25-14(21-13)8-9-20-25)22-16(12-6-4-3-5-7-12)17-23-24-18(19)26-17/h3-11,16,22H,1-2H3,(H2,19,24)
InChIKeyQCFPHADOVBPWTH-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.49
Rot. Bonds5

About 5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine

5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 56894137) has the molecular formula C18H19N7S and a molecular weight of 365.47 g/mol. Its IUPAC name is 5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID56894137
Molecular FormulaC18H19N7S
Molecular Weight365.47 g/mol
Exact Mass365.14
IUPAC Name5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1cc(NC(c2ccccc2)c2nnc(N)s2)n2nccc2n1
InChIInChI=1S/C18H19N7S/c1-11(2)13-10-15(25-14(21-13)8-9-20-25)22-16(12-6-4-3-5-7-12)17-23-24-18(19)26-17/h3-11,16,22H,1-2H3,(H2,19,24)
InChIKeyQCFPHADOVBPWTH-UHFFFAOYSA-N
XLogP3.49
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 56894137) is 5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine is CC(C)c1cc(NC(c2ccccc2)c2nnc(N)s2)n2nccc2n1.
What is the InChIKey of 5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QCFPHADOVBPWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7S/c1-11(2)13-10-15(25-14(21-13)8-9-20-25)22-16(12-6-4-3-5-7-12)17-23-24-18(19)26-17/h3-11,16,22H,1-2H3,(H2,19,24).
What are the key properties of 5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 365.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[phenyl-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 56894137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).