2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide

C22H25N5O3S2 — CID 90035522

IUPAC2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
SMILESCN(C(=O)c1cc2[nH]c(NC(=O)c3cscn3)c(C(=O)NC3CC3)c2s1)C1CCCCC1
InChIInChI=1S/C22H25N5O3S2/c1-27(13-5-3-2-4-6-13)22(30)16-9-14-18(32-16)17(21(29)24-12-7-8-12)19(25-14)26-20(28)15-10-31-11-23-15/h9-13,25H,2-8H2,1H3,(H,24,29)(H,26,28)
InChIKeyQNWGOPNKZSKBSK-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.24
Rot. Bonds6

About 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide

2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide (PubChem CID 90035522) has the molecular formula C22H25N5O3S2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
PubChem CID90035522
Molecular FormulaC22H25N5O3S2
Molecular Weight471.61 g/mol
Exact Mass471.14
IUPAC Name2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
SMILESCN(C(=O)c1cc2[nH]c(NC(=O)c3cscn3)c(C(=O)NC3CC3)c2s1)C1CCCCC1
InChIInChI=1S/C22H25N5O3S2/c1-27(13-5-3-2-4-6-13)22(30)16-9-14-18(32-16)17(21(29)24-12-7-8-12)19(25-14)26-20(28)15-10-31-11-23-15/h9-13,25H,2-8H2,1H3,(H,24,29)(H,26,28)
InChIKeyQNWGOPNKZSKBSK-UHFFFAOYSA-N
XLogP4.24
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide with MolForge

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Related Compounds

N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 73056034
N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 63037212
N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 90036058
N-[3-(cyclopropylcarbamoyl)-6-[3,3-dimethylbutanoyl(methyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 73054034
2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
CID 90035896
N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 102637990
N-methyl-N-(oxan-4-yl)-1,3-thiazole-4-carboxamide
CID 63037211
N-(1-cyclobutylethyl)-1,3-thiazole-4-carboxamide
CID 115769139
N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 63049397
2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
CID 167312011
N-cyclopentyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 63037041

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide (CID 90035522) is 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide is CN(C(=O)c1cc2[nH]c(NC(=O)c3cscn3)c(C(=O)NC3CC3)c2s1)C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide?
The InChIKey is QNWGOPNKZSKBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S2/c1-27(13-5-3-2-4-6-13)22(30)16-9-14-18(32-16)17(21(29)24-12-7-8-12)19(25-14)26-20(28)15-10-31-11-23-15/h9-13,25H,2-8H2,1H3,(H,24,29)(H,26,28).
What are the key properties of 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide?
2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide has a molecular weight of 471.61 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide is sourced from PubChem (CID 90035522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).