(6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C19H20N4O2S — CID 95139505

IUPAC(6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESC[C@@H]1CCc2[nH]c3c(C(=O)NCC(=O)Nc4nccs4)cccc3c2C1
InChIInChI=1S/C19H20N4O2S/c1-11-5-6-15-14(9-11)12-3-2-4-13(17(12)22-15)18(25)21-10-16(24)23-19-20-7-8-26-19/h2-4,7-8,11,22H,5-6,9-10H2,1H3,(H,21,25)(H,20,23,24)/t11-/m1/s1
InChIKeyOBXBZDZPXKZTSN-LLVKDONJSA-N
MW368.46 g/mol
LogP3.12
Rot. Bonds4

About (6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

(6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 95139505) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name(6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID95139505
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESC[C@@H]1CCc2[nH]c3c(C(=O)NCC(=O)Nc4nccs4)cccc3c2C1
InChIInChI=1S/C19H20N4O2S/c1-11-5-6-15-14(9-11)12-3-2-4-13(17(12)22-15)18(25)21-10-16(24)23-19-20-7-8-26-19/h2-4,7-8,11,22H,5-6,9-10H2,1H3,(H,21,25)(H,20,23,24)/t11-/m1/s1
InChIKeyOBXBZDZPXKZTSN-LLVKDONJSA-N
XLogP3.12
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
6-methyl-N-pyridin-3-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46437559
ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
CID 95253356
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 38012087
(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2527812
(6R)-6-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 52535773
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94185005
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
6-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55720593
6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523381
N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46431053
(6R)-N-[(2S)-5-hydroxypentan-2-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97321534

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of (6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 95139505) is (6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for (6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for (6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is C[C@@H]1CCc2[nH]c3c(C(=O)NCC(=O)Nc4nccs4)cccc3c2C1.
What is the InChIKey of (6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is OBXBZDZPXKZTSN-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-11-5-6-15-14(9-11)12-3-2-4-13(17(12)22-15)18(25)21-10-16(24)23-19-20-7-8-26-19/h2-4,7-8,11,22H,5-6,9-10H2,1H3,(H,21,25)(H,20,23,24)/t11-/m1/s1.
What are the key properties of (6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
(6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 95139505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).