N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide

C26H33N7OS — CID 135262677

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(c3cnn(C)c3)CC2)s1
InChIInChI=1S/C26H33N7OS/c1-3-4-7-20(14-19-15-27-23-9-6-5-8-22(19)23)30-25(34)24-17-28-26(35-24)33-12-10-32(11-13-33)21-16-29-31(2)18-21/h5-6,8-9,15-18,20,27H,3-4,7,10-14H2,1-2H3,(H,30,34)
InChIKeyPWXHXFPUHNBFOJ-UHFFFAOYSA-N
MW491.67 g/mol
LogP4.22
Rot. Bonds9

About N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 135262677) has the molecular formula C26H33N7OS and a molecular weight of 491.67 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID135262677
Molecular FormulaC26H33N7OS
Molecular Weight491.67 g/mol
Exact Mass491.25
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(c3cnn(C)c3)CC2)s1
InChIInChI=1S/C26H33N7OS/c1-3-4-7-20(14-19-15-27-23-9-6-5-8-22(19)23)30-25(34)24-17-28-26(35-24)33-12-10-32(11-13-33)21-16-29-31(2)18-21/h5-6,8-9,15-18,20,27H,3-4,7,10-14H2,1-2H3,(H,30,34)
InChIKeyPWXHXFPUHNBFOJ-UHFFFAOYSA-N
XLogP4.22
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.67
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 135262677) is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(c3cnn(C)c3)CC2)s1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is PWXHXFPUHNBFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7OS/c1-3-4-7-20(14-19-15-27-23-9-6-5-8-22(19)23)30-25(34)24-17-28-26(35-24)33-12-10-32(11-13-33)21-16-29-31(2)18-21/h5-6,8-9,15-18,20,27H,3-4,7,10-14H2,1-2H3,(H,30,34).
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 491.67 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 135262677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).