N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide

C24H21N5O2S — CID 126468478

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
SMILESCc1nc(NC(=O)CN2N=C(c3ccccc3)Cn3c(cc4ccccc43)C2=O)sc1C
InChIInChI=1S/C24H21N5O2S/c1-15-16(2)32-24(25-15)26-22(30)14-29-23(31)21-12-18-10-6-7-11-20(18)28(21)13-19(27-29)17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3,(H,25,26,30)
InChIKeyMDPWWYNQLYBCIR-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.21
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide (PubChem CID 126468478) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
PubChem CID126468478
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
SMILESCc1nc(NC(=O)CN2N=C(c3ccccc3)Cn3c(cc4ccccc43)C2=O)sc1C
InChIInChI=1S/C24H21N5O2S/c1-15-16(2)32-24(25-15)26-22(30)14-29-23(31)21-12-18-10-6-7-11-20(18)28(21)13-19(27-29)17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3,(H,25,26,30)
InChIKeyMDPWWYNQLYBCIR-UHFFFAOYSA-N
XLogP4.21
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methylphenyl)-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl]-N-propan-2-ylacetamide
CID 16671068
2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 92582789
2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 126468473
N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
CID 46952588
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide
CID 110688639
10-[2-(azepan-1-yl)-2-oxoethyl]-12-phenyl-5-thia-1,10,11-triazatricyclo[6.5.0.02,6]trideca-2(6),3,7,11-tetraen-9-one
CID 46952164
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198249
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 52900017
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N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 51151024
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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide (CID 126468478) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide is Cc1nc(NC(=O)CN2N=C(c3ccccc3)Cn3c(cc4ccccc43)C2=O)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide?
The InChIKey is MDPWWYNQLYBCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-15-16(2)32-24(25-15)26-22(30)14-29-23(31)21-12-18-10-6-7-11-20(18)28(21)13-19(27-29)17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3,(H,25,26,30).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide has a molecular weight of 443.53 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide is sourced from PubChem (CID 126468478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).