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

C17H16N4O3S — CID 175271697

IUPAC[2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate
SMILESCOc1ccc(-c2nnc(C(N)c3ccccc3OC(N)=O)s2)cc1
InChIInChI=1S/C17H16N4O3S/c1-23-11-8-6-10(7-9-11)15-20-21-16(25-15)14(18)12-4-2-3-5-13(12)24-17(19)22/h2-9,14H,18H2,1H3,(H2,19,22)
InChIKeyQGGWZFZEYXRMKH-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.72
Rot. Bonds5

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

[2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate (PubChem CID 175271697) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is [2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate.

Molecular Properties

Compound Name[2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate
PubChem CID175271697
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name[2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate
SMILESCOc1ccc(-c2nnc(C(N)c3ccccc3OC(N)=O)s2)cc1
InChIInChI=1S/C17H16N4O3S/c1-23-11-8-6-10(7-9-11)15-20-21-16(25-15)14(18)12-4-2-3-5-13(12)24-17(19)22/h2-9,14H,18H2,1H3,(H2,19,22)
InChIKeyQGGWZFZEYXRMKH-UHFFFAOYSA-N
XLogP2.72
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 51370258
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100761285
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491
5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 56973796
2-[4-(2-methoxyphenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20984655
2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 45021560
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 3212720
[2-[(E)-3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxoprop-1-enyl]phenyl] benzoate
CID 45010463
ethyl 2-[amino-(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
CID 82045364
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653

Frequently Asked Questions

What is the IUPAC name of [2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate?
The IUPAC name of [2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate (CID 175271697) is [2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate.
What is the SMILES notation for [2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate?
The canonical SMILES for [2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate is COc1ccc(-c2nnc(C(N)c3ccccc3OC(N)=O)s2)cc1.
What is the InChIKey of [2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate?
The InChIKey is QGGWZFZEYXRMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-23-11-8-6-10(7-9-11)15-20-21-16(25-15)14(18)12-4-2-3-5-13(12)24-17(19)22/h2-9,14H,18H2,1H3,(H2,19,22).
What are the key properties of [2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate?
[2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate has a molecular weight of 356.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate is sourced from PubChem (CID 175271697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).