1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide

C14H14N4O2S2 — CID 4066059

IUPAC1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
SMILESO=C(NC1=NCCS1)c1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H14N4O2S2/c19-11(17-13-15-5-7-21-13)9-1-2-10(4-3-9)12(20)18-14-16-6-8-22-14/h1-4H,5-8H2,(H,15,17,19)(H,16,18,20)
InChIKeyGAPPQMHUNOGSJE-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.35
Rot. Bonds2

About 1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide

1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide (PubChem CID 4066059) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
PubChem CID4066059
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
SMILESO=C(NC1=NCCS1)c1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H14N4O2S2/c19-11(17-13-15-5-7-21-13)9-1-2-10(4-3-9)12(20)18-14-16-6-8-22-14/h1-4H,5-8H2,(H,15,17,19)(H,16,18,20)
InChIKeyGAPPQMHUNOGSJE-UHFFFAOYSA-N
XLogP1.35
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
4-(difluoromethylsulfanyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 51326128
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide
CID 47299837
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4513583
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide
CID 102046322
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 163201371
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47231516
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 51240513
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 51106672
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 122157651
3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 7534964
2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 2859080

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide (CID 4066059) is 1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide is O=C(NC1=NCCS1)c1ccc(C(=O)NC2=NCCS2)cc1.
What is the InChIKey of 1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is GAPPQMHUNOGSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c19-11(17-13-15-5-7-21-13)9-1-2-10(4-3-9)12(20)18-14-16-6-8-22-14/h1-4H,5-8H2,(H,15,17,19)(H,16,18,20).
What are the key properties of 1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 334.43 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 4066059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).