[2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate

C14H14N4O3S — CID 118378788

IUPAC[2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate
SMILESCc1nnc(NC(=O)c2cccc(C3CC3OC(N)=O)c2)s1
InChIInChI=1S/C14H14N4O3S/c1-7-17-18-14(22-7)16-12(19)9-4-2-3-8(5-9)10-6-11(10)21-13(15)20/h2-5,10-11H,6H2,1H3,(H2,15,20)(H,16,18,19)
InChIKeyFTCCJRCAYFMEPF-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.05
Rot. Bonds4

About [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate

[2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate (PubChem CID 118378788) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate.

Molecular Properties

Compound Name[2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate
PubChem CID118378788
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name[2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate
SMILESCc1nnc(NC(=O)c2cccc(C3CC3OC(N)=O)c2)s1
InChIInChI=1S/C14H14N4O3S/c1-7-17-18-14(22-7)16-12(19)9-4-2-3-8(5-9)10-6-11(10)21-13(15)20/h2-5,10-11H,6H2,1H3,(H2,15,20)(H,16,18,19)
InChIKeyFTCCJRCAYFMEPF-UHFFFAOYSA-N
XLogP2.05
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate 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

methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 46493816
(E)-but-2-enedioic acid;N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304676
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 3870990
3-(cyanomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179662
3-(4-methylpiperazin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 7999194
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide
CID 79512579
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
CID 118304626
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546952
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489

Frequently Asked Questions

What is the IUPAC name of [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate?
The IUPAC name of [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate (CID 118378788) is [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate.
What is the SMILES notation for [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate?
The canonical SMILES for [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate is Cc1nnc(NC(=O)c2cccc(C3CC3OC(N)=O)c2)s1.
What is the InChIKey of [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate?
The InChIKey is FTCCJRCAYFMEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-7-17-18-14(22-7)16-12(19)9-4-2-3-8(5-9)10-6-11(10)21-13(15)20/h2-5,10-11H,6H2,1H3,(H2,15,20)(H,16,18,19).
What are the key properties of [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate?
[2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate has a molecular weight of 318.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate is sourced from PubChem (CID 118378788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).