N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide

C18H25N3OS — CID 21156996

IUPACN-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide
SMILESCCCCC(=O)NCc1nnc(-c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C18H25N3OS/c1-5-6-7-15(22)19-12-16-20-21-17(23-16)13-8-10-14(11-9-13)18(2,3)4/h8-11H,5-7,12H2,1-4H3,(H,19,22)
InChIKeyOOVDUZKNGWNGFM-UHFFFAOYSA-N
MW331.49 g/mol
LogP4.31
Rot. Bonds6

About N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide

N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide (PubChem CID 21156996) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide
PubChem CID21156996
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide
SMILESCCCCC(=O)NCc1nnc(-c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C18H25N3OS/c1-5-6-7-15(22)19-12-16-20-21-17(23-16)13-8-10-14(11-9-13)18(2,3)4/h8-11H,5-7,12H2,1-4H3,(H,19,22)
InChIKeyOOVDUZKNGWNGFM-UHFFFAOYSA-N
XLogP4.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]heptanamide
CID 3116147
[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid
CID 136641585
4-[5-[(2S)-3-(hexylamino)-2-(nonanoylamino)-3-oxopropyl]-1,3,4-thiadiazol-2-yl]benzoic acid
CID 167356786
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 110873740
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide
CID 110870149
N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide
CID 110645176
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
methyl 4-[5-(acetamidomethyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 139271005
N-(3-chlorophenyl)-5-[(pentanoylamino)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099864
4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 22830189
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pentanamide
CID 108738364

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide?
The IUPAC name of N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide (CID 21156996) is N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide.
What is the SMILES notation for N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide?
The canonical SMILES for N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide is CCCCC(=O)NCc1nnc(-c2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide?
The InChIKey is OOVDUZKNGWNGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-5-6-7-15(22)19-12-16-20-21-17(23-16)13-8-10-14(11-9-13)18(2,3)4/h8-11H,5-7,12H2,1-4H3,(H,19,22).
What are the key properties of N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide?
N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide has a molecular weight of 331.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]methyl]pentanamide is sourced from PubChem (CID 21156996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).