N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide

C16H15N3OS — CID 5173408

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C16H15N3OS/c1-10(2)15-18-19-16(21-15)17-14(20)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3,(H,17,19,20)
InChIKeyQHMCDKLZJJFRKV-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.07
Rot. Bonds3

About N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 5173408) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
PubChem CID5173408
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C16H15N3OS/c1-10(2)15-18-19-16(21-15)17-14(20)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3,(H,17,19,20)
InChIKeyQHMCDKLZJJFRKV-UHFFFAOYSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44412060
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3669135
2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1097674
N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)-3-methyl-benzamide
CID 832881
2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878365
N-[(2-methyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 938551
N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 2971416
2-[4-[4-[(5-Benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclohexyl]acetic acid
CID 46843774
2-[4-[4-[[5-(2-Phenylethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]cyclohexyl]acetic acid
CID 46843841

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide (CID 5173408) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide is CC(C)c1nnc(NC(=O)c2ccc3ccccc3c2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is QHMCDKLZJJFRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10(2)15-18-19-16(21-15)17-14(20)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3,(H,17,19,20).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 5173408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).