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

C21H27N5O2S — CID 135263240

IUPACN-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCOCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)CC2)s1
InChIInChI=1S/C21H27N5O2S/c1-25-7-9-26(10-8-25)21-23-13-19(29-21)20(27)24-16(14-28-2)11-15-12-22-18-6-4-3-5-17(15)18/h3-6,12-13,16,22H,7-11,14H2,1-2H3,(H,24,27)
InChIKeyVUCDCRBMCWPOAL-UHFFFAOYSA-N
MW413.55 g/mol
LogP2.36
Rot. Bonds7

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

N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 135263240) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID135263240
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC NameN-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCOCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)CC2)s1
InChIInChI=1S/C21H27N5O2S/c1-25-7-9-26(10-8-25)21-23-13-19(29-21)20(27)24-16(14-28-2)11-15-12-22-18-6-4-3-5-17(15)18/h3-6,12-13,16,22H,7-11,14H2,1-2H3,(H,24,27)
InChIKeyVUCDCRBMCWPOAL-UHFFFAOYSA-N
XLogP2.36
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Minzasolmin
CID 118279413
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
Indole-based 6-membered lactam, 3d
CID 44143546
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
(S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998803
(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
(R)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998563
N-[1-ethoxy-3-(1H-indol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 135262740
N-[2-(1H-indol-3-yl)-1-(oxan-4-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 135263274
N-[1-(1H-indol-3-yl)-4-methoxybutan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 135263287
3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide
CID 25134159

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 135263240) is N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is COCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)CC2)s1.
What is the InChIKey of N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is VUCDCRBMCWPOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S/c1-25-7-9-26(10-8-25)21-23-13-19(29-21)20(27)24-16(14-28-2)11-15-12-22-18-6-4-3-5-17(15)18/h3-6,12-13,16,22H,7-11,14H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 413.55 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)-3-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 135263240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).