N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C19H16FN7OS2 — CID 90625709

IUPACN-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C19H16FN7OS2/c1-27-19(24-25-26-27)30-11-17(28)21-13-6-4-5-12(9-13)16-10-29-18(23-16)22-15-8-3-2-7-14(15)20/h2-10H,11H2,1H3,(H,21,28)(H,22,23)
InChIKeyKASVWLXDPGLVAS-UHFFFAOYSA-N
MW441.52 g/mol
LogP3.95
Rot. Bonds7

About N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 90625709) has the molecular formula C19H16FN7OS2 and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID90625709
Molecular FormulaC19H16FN7OS2
Molecular Weight441.52 g/mol
Exact Mass441.08
IUPAC NameN-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C19H16FN7OS2/c1-27-19(24-25-26-27)30-11-17(28)21-13-6-4-5-12(9-13)16-10-29-18(23-16)22-15-8-3-2-7-14(15)20/h2-10H,11H2,1H3,(H,21,28)(H,22,23)
InChIKeyKASVWLXDPGLVAS-UHFFFAOYSA-N
XLogP3.95
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021873
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7415959
2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26507291
N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 949151
2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 5027218
N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
CID 42764865
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
2-(3-acetamidophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 18899012
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 90556810

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 90625709) is N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1.
What is the InChIKey of N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is KASVWLXDPGLVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7OS2/c1-27-19(24-25-26-27)30-11-17(28)21-13-6-4-5-12(9-13)16-10-29-18(23-16)22-15-8-3-2-7-14(15)20/h2-10H,11H2,1H3,(H,21,28)(H,22,23).
What are the key properties of N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 441.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 90625709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).