methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

C16H16FN3O3S2 — CID 90528945

IUPACmethyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2c(s1)CN(C(=O)CSc1ccc(F)cc1)CC2
InChIInChI=1S/C16H16FN3O3S2/c1-23-16(22)19-15-18-12-6-7-20(8-13(12)25-15)14(21)9-24-11-4-2-10(17)3-5-11/h2-5H,6-9H2,1H3,(H,18,19,22)
InChIKeySSODVJHLKCLRKK-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.14
Rot. Bonds4

About methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 90528945) has the molecular formula C16H16FN3O3S2 and a molecular weight of 381.45 g/mol. Its IUPAC name is methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
PubChem CID90528945
Molecular FormulaC16H16FN3O3S2
Molecular Weight381.45 g/mol
Exact Mass381.06
IUPAC Namemethyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2c(s1)CN(C(=O)CSc1ccc(F)cc1)CC2
InChIInChI=1S/C16H16FN3O3S2/c1-23-16(22)19-15-18-12-6-7-20(8-13(12)25-15)14(21)9-24-11-4-2-10(17)3-5-11/h2-5H,6-9H2,1H3,(H,18,19,22)
InChIKeySSODVJHLKCLRKK-UHFFFAOYSA-N
XLogP3.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-3-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 71788156
methyl N-[5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528752
methyl N-[5-[2-(4-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528879
methyl N-[5-(2-benzamidoacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528743
methyl N-[5-[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528974
methyl N-[5-[(E)-3-phenylprop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528867
2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90480656
methyl N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528814
1-cyclopentyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529381
methyl N-[5-[(4-tert-butylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529140
methyl N-[5-[(4-ethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529132
methyl N-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528980

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The IUPAC name of methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 90528945) is methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is COC(=O)Nc1nc2c(s1)CN(C(=O)CSc1ccc(F)cc1)CC2.
What is the InChIKey of methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The InChIKey is SSODVJHLKCLRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S2/c1-23-16(22)19-15-18-12-6-7-20(8-13(12)25-15)14(21)9-24-11-4-2-10(17)3-5-11/h2-5H,6-9H2,1H3,(H,18,19,22).
What are the key properties of methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 381.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 90528945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).