N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine

C14H15N5O3S3 — CID 51129714

IUPACN-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(S(=O)(=O)Cc2csc(-c3ccccn3)n2)s1
InChIInChI=1S/C14H15N5O3S3/c1-22-7-6-16-13-18-19-14(24-13)25(20,21)9-10-8-23-12(17-10)11-4-2-3-5-15-11/h2-5,8H,6-7,9H2,1H3,(H,16,18)
InChIKeyTYIKCBZIJBUUGN-UHFFFAOYSA-N
MW397.51 g/mol
LogP2.09
Rot. Bonds8

About N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine

N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine (PubChem CID 51129714) has the molecular formula C14H15N5O3S3 and a molecular weight of 397.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine
PubChem CID51129714
Molecular FormulaC14H15N5O3S3
Molecular Weight397.51 g/mol
Exact Mass397.03
IUPAC NameN-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(S(=O)(=O)Cc2csc(-c3ccccn3)n2)s1
InChIInChI=1S/C14H15N5O3S3/c1-22-7-6-16-13-18-19-14(24-13)25(20,21)9-10-8-23-12(17-10)11-4-2-3-5-15-11/h2-5,8H,6-7,9H2,1H3,(H,16,18)
InChIKeyTYIKCBZIJBUUGN-UHFFFAOYSA-N
XLogP2.09
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine (CID 51129714) is N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine is COCCNc1nnc(S(=O)(=O)Cc2csc(-c3ccccn3)n2)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is TYIKCBZIJBUUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S3/c1-22-7-6-16-13-18-19-14(24-13)25(20,21)9-10-8-23-12(17-10)11-4-2-3-5-15-11/h2-5,8H,6-7,9H2,1H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine?
N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 397.51 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfonyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 51129714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).