N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide

C15H15N3OS2 — CID 121023381

IUPACN-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)Cc1csc2ccccc12
InChIInChI=1S/C15H15N3OS2/c1-9(16-15(19)14-10(2)17-18-21-14)7-11-8-20-13-6-4-3-5-12(11)13/h3-6,8-9H,7H2,1-2H3,(H,16,19)
InChIKeyMWSVSXKZFFNRPA-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.42
Rot. Bonds4

About N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 121023381) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID121023381
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)Cc1csc2ccccc12
InChIInChI=1S/C15H15N3OS2/c1-9(16-15(19)14-10(2)17-18-21-14)7-11-8-20-13-6-4-3-5-12(11)13/h3-6,8-9H,7H2,1-2H3,(H,16,19)
InChIKeyMWSVSXKZFFNRPA-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153
N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide
CID 119106138
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
CID 121023395
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
CID 121023374
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
CID 121023406
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide
CID 171136942
1-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 119106181
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
CID 146079150
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
methyl 2-(1-benzothiophen-3-ylmethyl)-3-methylbutanoate
CID 116931459
1-[(2R)-1-(1-benzothiophen-3-yl)propan-2-yl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 135214090
N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide
CID 87362441

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide (CID 121023381) is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(C)Cc1csc2ccccc12.
What is the InChIKey of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is MWSVSXKZFFNRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-9(16-15(19)14-10(2)17-18-21-14)7-11-8-20-13-6-4-3-5-12(11)13/h3-6,8-9H,7H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide?
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 121023381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).