N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide

C19H20ClN3OS — CID 46098190

IUPACN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC2CCc3[nH]c4c(Cl)cccc4c3C2)c(C)s1
InChIInChI=1S/C19H20ClN3OS/c1-10-17(21-11(2)25-10)9-18(24)22-12-6-7-16-14(8-12)13-4-3-5-15(20)19(13)23-16/h3-5,12,23H,6-9H2,1-2H3,(H,22,24)
InChIKeySOQDFCKRKPJWDA-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.11
Rot. Bonds3

About N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 46098190) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
PubChem CID46098190
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC2CCc3[nH]c4c(Cl)cccc4c3C2)c(C)s1
InChIInChI=1S/C19H20ClN3OS/c1-10-17(21-11(2)25-10)9-18(24)22-12-6-7-16-14(8-12)13-4-3-5-15(20)19(13)23-16/h3-5,12,23H,6-9H2,1-2H3,(H,22,24)
InChIKeySOQDFCKRKPJWDA-UHFFFAOYSA-N
XLogP4.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (CID 46098190) is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC2CCc3[nH]c4c(Cl)cccc4c3C2)c(C)s1.
What is the InChIKey of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is SOQDFCKRKPJWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-10-17(21-11(2)25-10)9-18(24)22-12-6-7-16-14(8-12)13-4-3-5-15(20)19(13)23-16/h3-5,12,23H,6-9H2,1-2H3,(H,22,24).
What are the key properties of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 373.91 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46098190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).