N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine

C17H11F2N5S2 — CID 133426576

IUPACN-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CNc2nnc(Sc3ncnc4ccc(F)cc34)s2)cc1
InChIInChI=1S/C17H11F2N5S2/c18-11-3-1-10(2-4-11)8-20-16-23-24-17(26-16)25-15-13-7-12(19)5-6-14(13)21-9-22-15/h1-7,9H,8H2,(H,20,23)
InChIKeySRYFBOVXQSNNIV-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.52
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine

N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 133426576) has the molecular formula C17H11F2N5S2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID133426576
Molecular FormulaC17H11F2N5S2
Molecular Weight387.44 g/mol
Exact Mass387.04
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CNc2nnc(Sc3ncnc4ccc(F)cc34)s2)cc1
InChIInChI=1S/C17H11F2N5S2/c18-11-3-1-10(2-4-11)8-20-16-23-24-17(26-16)25-15-13-7-12(19)5-6-14(13)21-9-22-15/h1-7,9H,8H2,(H,20,23)
InChIKeySRYFBOVXQSNNIV-UHFFFAOYSA-N
XLogP4.52
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 110826482
N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133426572
N-[(4-fluorophenyl)methyl]-5-[(3-methyl-5-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133426581
ethyl 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24508275
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 56584898
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64913971
6-fluoro-4-pyridin-4-ylsulfanylquinazoline
CID 130258037
6-fluoro-4-(3-fluorophenyl)sulfanylquinazoline
CID 133429642
6-fluoro-4-(2-fluorophenyl)sulfanylquinazoline
CID 133424999
5-[(2-chlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 41457859
2-[[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]methyl]phenol
CID 3550353

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (CID 133426576) is N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is Fc1ccc(CNc2nnc(Sc3ncnc4ccc(F)cc34)s2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SRYFBOVXQSNNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5S2/c18-11-3-1-10(2-4-11)8-20-16-23-24-17(26-16)25-15-13-7-12(19)5-6-14(13)21-9-22-15/h1-7,9H,8H2,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 387.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133426576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).