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

C20H18N4O2S2 — CID 32869371

IUPAC1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C20H18N4O2S2/c25-17(23-19-21-15(9-27-19)11-1-2-11)13-5-7-14(8-6-13)18(26)24-20-22-16(10-28-20)12-3-4-12/h5-12H,1-4H2,(H,21,23,25)(H,22,24,26)
InChIKeyAZPRQCRWIJOZJZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.86
Rot. Bonds6

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

1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide (PubChem CID 32869371) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
PubChem CID32869371
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C20H18N4O2S2/c25-17(23-19-21-15(9-27-19)11-1-2-11)13-5-7-14(8-6-13)18(26)24-20-22-16(10-28-20)12-3-4-12/h5-12H,1-4H2,(H,21,23,25)(H,22,24,26)
InChIKeyAZPRQCRWIJOZJZ-UHFFFAOYSA-N
XLogP4.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94198052
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61479305
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide
CID 63718087
N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62174816
4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 112705830
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3-diethylquinoxaline-6-carboxamide
CID 30858486
3,5-diacetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32863174
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-4-carboxamide
CID 54958473
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 32866726
5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide
CID 32863513

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide (CID 32869371) is 1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide is O=C(Nc1nc(C2CC2)cs1)c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is AZPRQCRWIJOZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c25-17(23-19-21-15(9-27-19)11-1-2-11)13-5-7-14(8-6-13)18(26)24-20-22-16(10-28-20)12-3-4-12/h5-12H,1-4H2,(H,21,23,25)(H,22,24,26).
What are the key properties of 1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.86, 6 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-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 32869371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).