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

C14H11ClN4OS — CID 5301279

IUPACN-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(Nc2nnc(-c3ccncc3)s2)cc1Cl
InChIInChI=1S/C14H11ClN4OS/c1-20-12-3-2-10(8-11(12)15)17-14-19-18-13(21-14)9-4-6-16-7-5-9/h2-8H,1H3,(H,17,19)
InChIKeyTVVGFMVPLMLLTK-UHFFFAOYSA-N
MW318.79 g/mol
LogP4.01
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (PubChem CID 5301279) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
PubChem CID5301279
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(Nc2nnc(-c3ccncc3)s2)cc1Cl
InChIInChI=1S/C14H11ClN4OS/c1-20-12-3-2-10(8-11(12)15)17-14-19-18-13(21-14)9-4-6-16-7-5-9/h2-8H,1H3,(H,17,19)
InChIKeyTVVGFMVPLMLLTK-UHFFFAOYSA-N
XLogP4.01
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Allyl-3-(4-methoxy-phenyl)-1-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-urea
CID 1076247
1-(4-Methoxyphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 705307
N-(3-chloro-4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7723677
N'-(3-chloro-4-methoxyphenyl)-N-isopropyl-N-(2-pyridin-4-ylethyl)thiourea
CID 5141504
N-(5-chloro-2-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 1864426
1-(5-Pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 166963046
1-[4-(Difluoromethoxy)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 172104016
N-(3-chloro-4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1046113
N-(3-Chloro-4-methoxyphenyl)-2-((4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
CID 1991905
N-(3-Chloro-4-methoxyphenyl)-2-{[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetamide
CID 3861372
N-(5-chloro-2-methoxyphenyl)-5-(pyrazin-2-yl)-1,3,4-thiadiazol-2-amine
CID 1857629
1-[4-(2-Methoxyethoxy)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 166962931

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (CID 5301279) is N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is COc1ccc(Nc2nnc(-c3ccncc3)s2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is TVVGFMVPLMLLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c1-20-12-3-2-10(8-11(12)15)17-14-19-18-13(21-14)9-4-6-16-7-5-9/h2-8H,1H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 318.79 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5301279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).