N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide

C14H12F2N2OS3 — CID 112765234

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CSCCS1
InChIInChI=1S/C14H12F2N2OS3/c15-9-2-1-8(5-10(9)16)11-6-22-14(17-11)18-13(19)12-7-20-3-4-21-12/h1-2,5-6,12H,3-4,7H2,(H,17,18,19)
InChIKeyRXPWHAMPCFVDIN-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.88
Rot. Bonds3

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide (PubChem CID 112765234) has the molecular formula C14H12F2N2OS3 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
PubChem CID112765234
Molecular FormulaC14H12F2N2OS3
Molecular Weight358.46 g/mol
Exact Mass358.01
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CSCCS1
InChIInChI=1S/C14H12F2N2OS3/c15-9-2-1-8(5-10(9)16)11-6-22-14(17-11)18-13(19)12-7-20-3-4-21-12/h1-2,5-6,12H,3-4,7H2,(H,17,18,19)
InChIKeyRXPWHAMPCFVDIN-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
CID 112766235
(3S)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 40938479
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
1-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16827220
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16827221
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 51600054
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55667223
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide (CID 112765234) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CSCCS1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
The InChIKey is RXPWHAMPCFVDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2OS3/c15-9-2-1-8(5-10(9)16)11-6-22-14(17-11)18-13(19)12-7-20-3-4-21-12/h1-2,5-6,12H,3-4,7H2,(H,17,18,19).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 112765234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).