N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide

C24H28N4O2S — CID 142463575

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)NC2COc3ccccc3C2)n(Cc2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C24H28N4O2S/c1-17-11-21(23(29)25-19-12-18-7-3-4-8-22(18)30-15-19)28(13-17)14-20-16-31-24(26-20)27-9-5-2-6-10-27/h3-4,7-8,11,13,16,19H,2,5-6,9-10,12,14-15H2,1H3,(H,25,29)
InChIKeyKIUXWLXZIQAWBR-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.03
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide

N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide (PubChem CID 142463575) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
PubChem CID142463575
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)NC2COc3ccccc3C2)n(Cc2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C24H28N4O2S/c1-17-11-21(23(29)25-19-12-18-7-3-4-8-22(18)30-15-19)28(13-17)14-20-16-31-24(26-20)27-9-5-2-6-10-27/h3-4,7-8,11,13,16,19H,2,5-6,9-10,12,14-15H2,1H3,(H,25,29)
InChIKeyKIUXWLXZIQAWBR-UHFFFAOYSA-N
XLogP4.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide (CID 142463575) is N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide is Cc1cc(C(=O)NC2COc3ccccc3C2)n(Cc2csc(N3CCCCC3)n2)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is KIUXWLXZIQAWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-17-11-21(23(29)25-19-12-18-7-3-4-8-22(18)30-15-19)28(13-17)14-20-16-31-24(26-20)27-9-5-2-6-10-27/h3-4,7-8,11,13,16,19H,2,5-6,9-10,12,14-15H2,1H3,(H,25,29).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide?
N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 142463575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).