N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

C24H29N5O3S — CID 90035604

IUPACN-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc3ccc(N(C)C(=O)C4CCCCC4)cc3n2CCC(N)=O)cs1
InChIInChI=1S/C24H29N5O3S/c1-15-26-19(14-33-15)23(31)27-22-12-17-8-9-18(13-20(17)29(22)11-10-21(25)30)28(2)24(32)16-6-4-3-5-7-16/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyMTGCLCPZLSQRJX-UHFFFAOYSA-N
MW467.60 g/mol
LogP4.08
Rot. Bonds7

About N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 90035604) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID90035604
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc3ccc(N(C)C(=O)C4CCCCC4)cc3n2CCC(N)=O)cs1
InChIInChI=1S/C24H29N5O3S/c1-15-26-19(14-33-15)23(31)27-22-12-17-8-9-18(13-20(17)29(22)11-10-21(25)30)28(2)24(32)16-6-4-3-5-7-16/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyMTGCLCPZLSQRJX-UHFFFAOYSA-N
XLogP4.08
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 90035604) is N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cc3ccc(N(C)C(=O)C4CCCCC4)cc3n2CCC(N)=O)cs1.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is MTGCLCPZLSQRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-15-26-19(14-33-15)23(31)27-22-12-17-8-9-18(13-20(17)29(22)11-10-21(25)30)28(2)24(32)16-6-4-3-5-7-16/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H2,25,30)(H,27,31).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90035604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).