N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide

C26H30N4O4S — CID 143408417

IUPACN-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2C=C(CN(C)C)C=C(c3nc4ccncc4s3)C2C)cc(OC)c1OC
InChIInChI=1S/C26H30N4O4S/c1-15-18(26-29-19-7-8-27-13-23(19)35-26)9-16(14-30(2)3)10-20(15)28-25(31)17-11-21(32-4)24(34-6)22(12-17)33-5/h7-13,15,20H,14H2,1-6H3,(H,28,31)
InChIKeyOLXWDCNPSPDCNB-UHFFFAOYSA-N
MW494.62 g/mol
LogP4.04
Rot. Bonds8

About N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide

N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide (PubChem CID 143408417) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide
PubChem CID143408417
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC NameN-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2C=C(CN(C)C)C=C(c3nc4ccncc4s3)C2C)cc(OC)c1OC
InChIInChI=1S/C26H30N4O4S/c1-15-18(26-29-19-7-8-27-13-23(19)35-26)9-16(14-30(2)3)10-20(15)28-25(31)17-11-21(32-4)24(34-6)22(12-17)33-5/h7-13,15,20H,14H2,1-6H3,(H,28,31)
InChIKeyOLXWDCNPSPDCNB-UHFFFAOYSA-N
XLogP4.04
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide (CID 143408417) is N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC2C=C(CN(C)C)C=C(c3nc4ccncc4s3)C2C)cc(OC)c1OC.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is OLXWDCNPSPDCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-15-18(26-29-19-7-8-27-13-23(19)35-26)9-16(14-30(2)3)10-20(15)28-25(31)17-11-21(32-4)24(34-6)22(12-17)33-5/h7-13,15,20H,14H2,1-6H3,(H,28,31).
What are the key properties of N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide?
N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 494.62 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 143408417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).