N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide

C14H17N3O2S — CID 47262615

IUPACN-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2cnsn2)c1
InChIInChI=1S/C14H17N3O2S/c1-9(2)19-12-6-4-5-11(7-12)10(3)16-14(18)13-8-15-20-17-13/h4-10H,1-3H3,(H,16,18)
InChIKeyXDWBPAYIISBJBO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.82
Rot. Bonds5

About N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide

N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 47262615) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID47262615
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2cnsn2)c1
InChIInChI=1S/C14H17N3O2S/c1-9(2)19-12-6-4-5-11(7-12)10(3)16-14(18)13-8-15-20-17-13/h4-10H,1-3H3,(H,16,18)
InChIKeyXDWBPAYIISBJBO-UHFFFAOYSA-N
XLogP2.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
CID 78949901
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105171299
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
CID 106685966
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 63048536
1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86989123
3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]but-2-enamide
CID 47210467
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide (CID 47262615) is N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide is CC(C)Oc1cccc(C(C)NC(=O)c2cnsn2)c1.
What is the InChIKey of N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is XDWBPAYIISBJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(2)19-12-6-4-5-11(7-12)10(3)16-14(18)13-8-15-20-17-13/h4-10H,1-3H3,(H,16,18).
What are the key properties of N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide?
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propan-2-yloxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 47262615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).