N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine

C8H9N3OS — CID 130677953

IUPACN-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(Cc1ccco1)c1ncns1
InChIInChI=1S/C8H9N3OS/c1-11(8-9-6-10-13-8)5-7-3-2-4-12-7/h2-4,6H,5H2,1H3
InChIKeyPQWJCACLDRQVSX-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.77
Rot. Bonds3

About N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine

N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 130677953) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID130677953
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(Cc1ccco1)c1ncns1
InChIInChI=1S/C8H9N3OS/c1-11(8-9-6-10-13-8)5-7-3-2-4-12-7/h2-4,6H,5H2,1H3
InChIKeyPQWJCACLDRQVSX-UHFFFAOYSA-N
XLogP1.77
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55112489
N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 65418233
[6-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61256036
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586
4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 78979678
[2-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61255618
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
5-[furan-2-ylmethyl(methyl)amino]pyridine-2-carbonitrile
CID 79840143
2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62757978
6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine
CID 79828230
6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 55125089

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 130677953) is N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine is CN(Cc1ccco1)c1ncns1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PQWJCACLDRQVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-11(8-9-6-10-13-8)5-7-3-2-4-12-7/h2-4,6H,5H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 195.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130677953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).