5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine

C14H13N3S2 — CID 103934155

IUPAC5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccc(-c3ccccc3)s2)s1
InChIInChI=1S/C14H13N3S2/c1-10-16-17-14(18-10)15-9-12-7-8-13(19-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyIPYHGDZQWJCKSY-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.19
Rot. Bonds4

About 5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103934155) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103934155
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccc(-c3ccccc3)s2)s1
InChIInChI=1S/C14H13N3S2/c1-10-16-17-14(18-10)15-9-12-7-8-13(19-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyIPYHGDZQWJCKSY-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133331350
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43772282
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924977
2-iodo-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43773459
N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine
CID 25198764
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
3-chloro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43757389

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 103934155) is 5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2ccc(-c3ccccc3)s2)s1.
What is the InChIKey of 5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IPYHGDZQWJCKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-10-16-17-14(18-10)15-9-12-7-8-13(19-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of 5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103934155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).