2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide

C14H15N3OS — CID 107920614

IUPAC2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide
SMILESNC(=S)c1ccc2c(ccn2CC(=O)NC2CC2)c1
InChIInChI=1S/C14H15N3OS/c15-14(19)10-1-4-12-9(7-10)5-6-17(12)8-13(18)16-11-2-3-11/h1,4-7,11H,2-3,8H2,(H2,15,19)(H,16,18)
InChIKeyYMEOHQXHEZEDHF-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.55
Rot. Bonds4

About 2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide

2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide (PubChem CID 107920614) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide
PubChem CID107920614
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide
SMILESNC(=S)c1ccc2c(ccn2CC(=O)NC2CC2)c1
InChIInChI=1S/C14H15N3OS/c15-14(19)10-1-4-12-9(7-10)5-6-17(12)8-13(18)16-11-2-3-11/h1,4-7,11H,2-3,8H2,(H2,15,19)(H,16,18)
InChIKeyYMEOHQXHEZEDHF-UHFFFAOYSA-N
XLogP1.55
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid
CID 63748060
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
2-(5-carbamothioylindol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 107920598
N-cyclopentyl-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110831029
2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
CID 116622948
2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 107920508
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
CID 20918962
1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide
CID 107920546
2-(6-carbamothioylindol-1-yl)acetamide
CID 107917375
1-(2,2,2-trifluoroethyl)indole-5-carbothioamide
CID 107920497
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
2-(5-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 29135199

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide (CID 107920614) is 2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide is NC(=S)c1ccc2c(ccn2CC(=O)NC2CC2)c1.
What is the InChIKey of 2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide?
The InChIKey is YMEOHQXHEZEDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-14(19)10-1-4-12-9(7-10)5-6-17(12)8-13(18)16-11-2-3-11/h1,4-7,11H,2-3,8H2,(H2,15,19)(H,16,18).
What are the key properties of 2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide?
2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide has a molecular weight of 273.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamothioylindol-1-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 107920614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).