(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate

C10H10N4O2S — CID 67025846

IUPAC(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1nnc(-c2cccnc2)s1
InChIInChI=1S/C10H10N4O2S/c1-14(2)10(15)16-9-13-12-8(17-9)7-4-3-5-11-6-7/h3-6H,1-2H3
InChIKeyXXEXUMJYLWCPOM-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.66
Rot. Bonds2

About (5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate

(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate (PubChem CID 67025846) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is (5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate
PubChem CID67025846
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1nnc(-c2cccnc2)s1
InChIInChI=1S/C10H10N4O2S/c1-14(2)10(15)16-9-13-12-8(17-9)7-4-3-5-11-6-7/h3-6H,1-2H3
InChIKeyXXEXUMJYLWCPOM-UHFFFAOYSA-N
XLogP1.66
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

S-methyl N-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)carbamothioate
CID 87085130
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028
N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451861
tert-butyl N-(4-ethynyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate
CID 118978056
3-(cyanoamino)-N-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 73332470
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-2-sulfanylacetamide
CID 89012295
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950
tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate
CID 150876946
3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 66634813
3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 3767768
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806

Frequently Asked Questions

What is the IUPAC name of (5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate (CID 67025846) is (5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1nnc(-c2cccnc2)s1.
What is the InChIKey of (5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate?
The InChIKey is XXEXUMJYLWCPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-14(2)10(15)16-9-13-12-8(17-9)7-4-3-5-11-6-7/h3-6H,1-2H3.
What are the key properties of (5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate?
(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate has a molecular weight of 250.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 67025846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).