N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

C24H31N5O2S — CID 135263274

IUPACN-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NC(Cc3c[nH]c4ccccc34)C3CCOCC3)s2)CC1
InChIInChI=1S/C24H31N5O2S/c1-28-8-10-29(11-9-28)24-26-16-22(32-24)23(30)27-21(17-6-12-31-13-7-17)14-18-15-25-20-5-3-2-4-19(18)20/h2-5,15-17,21,25H,6-14H2,1H3,(H,27,30)
InChIKeyMWPLILKTWXIOHN-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 135263274) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID135263274
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC NameN-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NC(Cc3c[nH]c4ccccc34)C3CCOCC3)s2)CC1
InChIInChI=1S/C24H31N5O2S/c1-28-8-10-29(11-9-28)24-26-16-22(32-24)23(30)27-21(17-6-12-31-13-7-17)14-18-15-25-20-5-3-2-4-19(18)20/h2-5,15-17,21,25H,6-14H2,1H3,(H,27,30)
InChIKeyMWPLILKTWXIOHN-UHFFFAOYSA-N
XLogP3.14
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Minzasolmin
CID 118279413
2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143528
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143541
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143540
[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 60148496
(S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-7,7-dimethyl-5,6,7,8-tetrahydrothiazolo[5,4-c]azepin-4-one
CID 11999032
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 126842485
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indole-3-carboxamide
CID 126842486
[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 60165804
[4-[2-[[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 60166354
N-[1-ethoxy-3-(1H-indol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 135262740
N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 135263240

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 135263274) is N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is CN1CCN(c2ncc(C(=O)NC(Cc3c[nH]c4ccccc34)C3CCOCC3)s2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MWPLILKTWXIOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-28-8-10-29(11-9-28)24-26-16-22(32-24)23(30)27-21(17-6-12-31-13-7-17)14-18-15-25-20-5-3-2-4-19(18)20/h2-5,15-17,21,25H,6-14H2,1H3,(H,27,30).
What are the key properties of N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 135263274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).