N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide

C16H15N7OS — CID 125431169

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C16H15N7OS/c24-15(6-3-7-23-10-18-21-22-23)20-16-19-14(9-25-16)12-8-17-13-5-2-1-4-11(12)13/h1-2,4-5,8-10,17H,3,6-7H2,(H,19,20,24)
InChIKeyPHVBAOOBQDXJRR-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.70
Rot. Bonds6

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide (PubChem CID 125431169) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide
PubChem CID125431169
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C16H15N7OS/c24-15(6-3-7-23-10-18-21-22-23)20-16-19-14(9-25-16)12-8-17-13-5-2-1-4-11(12)13/h1-2,4-5,8-10,17H,3,6-7H2,(H,19,20,24)
InChIKeyPHVBAOOBQDXJRR-UHFFFAOYSA-N
XLogP2.70
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55467708
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8839559
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55786929
N-hexyl-4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 45034189
(2R)-2-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 31510372
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
CID 31950079
ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 60529056
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 41188721

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide (CID 125431169) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide is O=C(CCCn1cnnn1)Nc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is PHVBAOOBQDXJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS/c24-15(6-3-7-23-10-18-21-22-23)20-16-19-14(9-25-16)12-8-17-13-5-2-1-4-11(12)13/h1-2,4-5,8-10,17H,3,6-7H2,(H,19,20,24).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 353.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 125431169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).