3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide

C29H25ClN4O4S — CID 123930147

IUPAC3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide
SMILESCc1c(C2=C(Cl)CC(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c32)cccc1-n1c(=O)cc2sccn2c1=O
InChIInChI=1S/C29H25ClN4O4S/c1-14-16(5-4-6-21(14)34-22(35)13-23-33(28(34)37)9-10-39-23)24-19(30)12-18(27(31)36)26-25(24)17-8-7-15(29(2,3)38)11-20(17)32-26/h4-11,13,18,32,38H,12H2,1-3H3,(H2,31,36)
InChIKeyRSHJZEJLXGKIEO-UHFFFAOYSA-N
MW561.06 g/mol
LogP4.50
Rot. Bonds4

About 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide

3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide (PubChem CID 123930147) has the molecular formula C29H25ClN4O4S and a molecular weight of 561.06 g/mol. Its IUPAC name is 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide
PubChem CID123930147
Molecular FormulaC29H25ClN4O4S
Molecular Weight561.06 g/mol
Exact Mass560.13
IUPAC Name3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide
SMILESCc1c(C2=C(Cl)CC(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c32)cccc1-n1c(=O)cc2sccn2c1=O
InChIInChI=1S/C29H25ClN4O4S/c1-14-16(5-4-6-21(14)34-22(35)13-23-33(28(34)37)9-10-39-23)24-19(30)12-18(27(31)36)26-25(24)17-8-7-15(29(2,3)38)11-20(17)32-26/h4-11,13,18,32,38H,12H2,1-3H3,(H2,31,36)
InChIKeyRSHJZEJLXGKIEO-UHFFFAOYSA-N
XLogP4.50
TPSA122.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.06
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide?
The IUPAC name of 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide (CID 123930147) is 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide?
The canonical SMILES for 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide is Cc1c(C2=C(Cl)CC(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c32)cccc1-n1c(=O)cc2sccn2c1=O.
What is the InChIKey of 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide?
The InChIKey is RSHJZEJLXGKIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O4S/c1-14-16(5-4-6-21(14)34-22(35)13-23-33(28(34)37)9-10-39-23)24-19(30)12-18(27(31)36)26-25(24)17-8-7-15(29(2,3)38)11-20(17)32-26/h4-11,13,18,32,38H,12H2,1-3H3,(H2,31,36).
What are the key properties of 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide?
3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide has a molecular weight of 561.06 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-(5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidin-6-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 123930147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).