5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

C8H5Cl2F3N4S3 — CID 155969931

IUPAC5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)CNc1nnc(SCc2snc(Cl)c2Cl)s1
InChIInChI=1S/C8H5Cl2F3N4S3/c9-4-3(20-17-5(4)10)1-18-7-16-15-6(19-7)14-2-8(11,12)13/h1-2H2,(H,14,15)
InChIKeyHWVQQQBRIIYTDU-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.57
Rot. Bonds5

About 5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 155969931) has the molecular formula C8H5Cl2F3N4S3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
PubChem CID155969931
Molecular FormulaC8H5Cl2F3N4S3
Molecular Weight381.26 g/mol
Exact Mass379.90
IUPAC Name5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)CNc1nnc(SCc2snc(Cl)c2Cl)s1
InChIInChI=1S/C8H5Cl2F3N4S3/c9-4-3(20-17-5(4)10)1-18-7-16-15-6(19-7)14-2-8(11,12)13/h1-2H2,(H,14,15)
InChIKeyHWVQQQBRIIYTDU-UHFFFAOYSA-N
XLogP4.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]methanol
CID 110005089
5-[(3-methoxyphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48915004
5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48924301
6-methyl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 48914972
5-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 60605128
N-(2-cyanoethyl)-N-methyl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47086590
N-(6-methylheptan-2-yl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 48915117
N-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 110826482
N-tert-butyl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 48924485
5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48915285
N-butan-2-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 48915206
5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 46626511

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (CID 155969931) is 5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)CNc1nnc(SCc2snc(Cl)c2Cl)s1.
What is the InChIKey of 5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HWVQQQBRIIYTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3N4S3/c9-4-3(20-17-5(4)10)1-18-7-16-15-6(19-7)14-2-8(11,12)13/h1-2H2,(H,14,15).
What are the key properties of 5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 381.26 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichloro-1,2-thiazol-5-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155969931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).