N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide

C23H32N6OS — CID 509784

IUPACN-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide
SMILESCC(C)c1cc(C(C)C)c(C(=O)Nc2nnc(NCCc3cnc[nH]3)s2)c(C(C)C)c1
InChIInChI=1S/C23H32N6OS/c1-13(2)16-9-18(14(3)4)20(19(10-16)15(5)6)21(30)27-23-29-28-22(31-23)25-8-7-17-11-24-12-26-17/h9-15H,7-8H2,1-6H3,(H,24,26)(H,25,28)(H,27,29,30)
InChIKeyPPIZBTCUVNRYPR-UHFFFAOYSA-N
MW440.62 g/mol
LogP5.54
Rot. Bonds9

About N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide

N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide (PubChem CID 509784) has the molecular formula C23H32N6OS and a molecular weight of 440.62 g/mol. Its IUPAC name is N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide.

Molecular Properties

Compound NameN-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide
PubChem CID509784
Molecular FormulaC23H32N6OS
Molecular Weight440.62 g/mol
Exact Mass440.24
IUPAC NameN-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide
SMILESCC(C)c1cc(C(C)C)c(C(=O)Nc2nnc(NCCc3cnc[nH]3)s2)c(C(C)C)c1
InChIInChI=1S/C23H32N6OS/c1-13(2)16-9-18(14(3)4)20(19(10-16)15(5)6)21(30)27-23-29-28-22(31-23)25-8-7-17-11-24-12-26-17/h9-15H,7-8H2,1-6H3,(H,24,26)(H,25,28)(H,27,29,30)
InChIKeyPPIZBTCUVNRYPR-UHFFFAOYSA-N
XLogP5.54
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.62
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-hexylbenzamide
CID 57914347
3-[2-(isobutylamino) imidazo[2,1-d] [1,3,4]thiadiazol-5-yl]-N,N-dimethyl-benzamide
CID 58285836
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide
CID 52939192
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride
CID 67064709
N-[2-(1H-imidazol-4-yl)ethyl]-2-(3-pyrrolidinyl)benzamide
CID 56899436
N-[5-(3-imidazol-1-ylpropylamino)-1,3,4-thiadiazol-2-yl]-2,4,6-triisopropyl-benzamide
CID 509362
2,6-dichloro-N-[5-[2-(1H-imidazol-4-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509374
N-[5-[2-(1H-imidazol-4-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-4-iodo-benzamide
CID 510300
3-[2-(Isobutylamino) imidazo[2,1-b] [1,3,4]thiadiazol-5-yl]benzamide
CID 58285707
N-[2-(1H-imidazol-4-yl)ethyl]-4'-(pyrrolidin-1-ylmethyl)biphenyl-3-carboxamide
CID 121509728
(E)-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 22125617
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide
CID 44467910

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide?
The IUPAC name of N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide (CID 509784) is N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide.
What is the SMILES notation for N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide?
The canonical SMILES for N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide is CC(C)c1cc(C(C)C)c(C(=O)Nc2nnc(NCCc3cnc[nH]3)s2)c(C(C)C)c1.
What is the InChIKey of N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide?
The InChIKey is PPIZBTCUVNRYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6OS/c1-13(2)16-9-18(14(3)4)20(19(10-16)15(5)6)21(30)27-23-29-28-22(31-23)25-8-7-17-11-24-12-26-17/h9-15H,7-8H2,1-6H3,(H,24,26)(H,25,28)(H,27,29,30).
What are the key properties of N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide?
N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide has a molecular weight of 440.62 g/mol, XLogP of 5.54, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide is sourced from PubChem (CID 509784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).