N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide

C19H27N5O2S — CID 42762893

IUPACN-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide
SMILESCCC(=O)NC(C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1)C(C)CC
InChIInChI=1S/C19H27N5O2S/c1-6-12(3)16(20-15(25)7-2)17(26)21-19-23-22-18(27-19)13-8-10-14(11-9-13)24(4)5/h8-12,16H,6-7H2,1-5H3,(H,20,25)(H,21,23,26)
InChIKeyHWMSBYSPIOITBM-UHFFFAOYSA-N
MW389.53 g/mol
LogP3.15
Rot. Bonds8

About N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide

N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide (PubChem CID 42762893) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide
PubChem CID42762893
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide
SMILESCCC(=O)NC(C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1)C(C)CC
InChIInChI=1S/C19H27N5O2S/c1-6-12(3)16(20-15(25)7-2)17(26)21-19-23-22-18(27-19)13-8-10-14(11-9-13)24(4)5/h8-12,16H,6-7H2,1-5H3,(H,20,25)(H,21,23,26)
InChIKeyHWMSBYSPIOITBM-UHFFFAOYSA-N
XLogP3.15
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-2-acetamido-N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 7230459
N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide
CID 42762915
ethyl 4-[[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoate
CID 3303989
N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-[(4-ethoxyphenyl)carbamoylamino]-3-methylpentanamide
CID 3373022
N-[(2S,3R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]heptanamide
CID 7283084
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 4297338
N-[(2R,3S)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 7373852
(2R,3S)-3-methyl-2-(pentanoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 7338677
(2R,3S)-2-(3-chloropropanoylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 7399289
N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]nonanamide
CID 5033038
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]octanamide
CID 4679515
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]heptanamide
CID 5236860

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide?
The IUPAC name of N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide (CID 42762893) is N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide.
What is the SMILES notation for N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide?
The canonical SMILES for N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide is CCC(=O)NC(C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1)C(C)CC.
What is the InChIKey of N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide?
The InChIKey is HWMSBYSPIOITBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-6-12(3)16(20-15(25)7-2)17(26)21-19-23-22-18(27-19)13-8-10-14(11-9-13)24(4)5/h8-12,16H,6-7H2,1-5H3,(H,20,25)(H,21,23,26).
What are the key properties of N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide?
N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide has a molecular weight of 389.53 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide is sourced from PubChem (CID 42762893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).