4-methoxy-N-(thiadiazol-4-ylmethyl)aniline

C10H11N3OS — CID 43663944

IUPAC4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
SMILESCOc1ccc(NCc2csnn2)cc1
InChIInChI=1S/C10H11N3OS/c1-14-10-4-2-8(3-5-10)11-6-9-7-15-13-12-9/h2-5,7,11H,6H2,1H3
InChIKeyIISWPRDOJBRFPM-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.16
Rot. Bonds4

About 4-methoxy-N-(thiadiazol-4-ylmethyl)aniline

4-methoxy-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43663944) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-methoxy-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43663944
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
SMILESCOc1ccc(NCc2csnn2)cc1
InChIInChI=1S/C10H11N3OS/c1-14-10-4-2-8(3-5-10)11-6-9-7-15-13-12-9/h2-5,7,11H,6H2,1H3
InChIKeyIISWPRDOJBRFPM-UHFFFAOYSA-N
XLogP2.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663863
6-methoxy-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43663789
2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663822
4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 107272151
3,4,5-trimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663833
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 122134764
2-N,2-N-dimethyl-5-N-(thiadiazol-4-ylmethyl)pyridine-2,5-diamine
CID 43690649
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43683901
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 4-methoxy-N-(thiadiazol-4-ylmethyl)aniline (CID 43663944) is 4-methoxy-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-methoxy-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-methoxy-N-(thiadiazol-4-ylmethyl)aniline is COc1ccc(NCc2csnn2)cc1.
What is the InChIKey of 4-methoxy-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is IISWPRDOJBRFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-14-10-4-2-8(3-5-10)11-6-9-7-15-13-12-9/h2-5,7,11H,6H2,1H3.
What are the key properties of 4-methoxy-N-(thiadiazol-4-ylmethyl)aniline?
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 221.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43663944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).