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

C14H12N4S — CID 5270810

IUPACN-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C14H12N4S/c1-10-2-4-12(5-3-10)16-14-18-17-13(19-14)11-6-8-15-9-7-11/h2-9H,1H3,(H,16,18)
InChIKeyHGCYTQSECIIJHZ-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.65
Rot. Bonds3

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

N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (PubChem CID 5270810) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
PubChem CID5270810
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC NameN-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C14H12N4S/c1-10-2-4-12(5-3-10)16-14-18-17-13(19-14)11-6-8-15-9-7-11/h2-9H,1H3,(H,16,18)
InChIKeyHGCYTQSECIIJHZ-UHFFFAOYSA-N
XLogP3.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-5-(4-pyridyl)-1,3,4-thiadiazole
CID 121269
ML216
CID 49852229
N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 649971
N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 1090779
N-(4-methylphenyl)-5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9796249
N-(4-methylphenyl)-5-[(pyridin-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9817701
1-phenyl-3-[(2E)-5-(pyridin-4-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
CID 800218
1-(4-Methylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 881003
N-(4-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 704482
N-phenyl-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 946930
Acetamide, N-(5-(4-pyridyl)-1,3,4-thiadiazol-2-yl)-
CID 19289
3-(5-Amino-1,3,4-Thiadiazol-2-Yl)pyridin-4-Amine
CID 50925635

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (CID 5270810) is N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is Cc1ccc(Nc2nnc(-c3ccncc3)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is HGCYTQSECIIJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-10-2-4-12(5-3-10)16-14-18-17-13(19-14)11-6-8-15-9-7-11/h2-9H,1H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 268.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).