N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide

C11H13N3S2 — CID 24994520

IUPACN-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide
SMILESS=C(NCCCn1ccnc1)c1cccs1
InChIInChI=1S/C11H13N3S2/c15-11(10-3-1-8-16-10)13-4-2-6-14-7-5-12-9-14/h1,3,5,7-9H,2,4,6H2,(H,13,15)
InChIKeyAVOQHGVQPDQISM-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.30
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide

N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide (PubChem CID 24994520) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide
PubChem CID24994520
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC NameN-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide
SMILESS=C(NCCCn1ccnc1)c1cccs1
InChIInChI=1S/C11H13N3S2/c15-11(10-3-1-8-16-10)13-4-2-6-14-7-5-12-9-14/h1,3,5,7-9H,2,4,6H2,(H,13,15)
InChIKeyAVOQHGVQPDQISM-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111674028
potassium N-(3-imidazol-1-ylpropyl)carbamodithioate
CID 57326228
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
CID 4832222
N-[2-chloro-5-(4-imidazol-1-ylbutylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55977431
N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 30944474
2-imidazol-1-yl-1-thiophen-2-ylethanone
CID 14264751
1-(3-imidazol-1-ylpropyl)-3-propylthiourea
CID 17374308
N-(3-imidazol-1-ylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51265544
N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 4070087

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide (CID 24994520) is N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide is S=C(NCCCn1ccnc1)c1cccs1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide?
The InChIKey is AVOQHGVQPDQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c15-11(10-3-1-8-16-10)13-4-2-6-14-7-5-12-9-14/h1,3,5,7-9H,2,4,6H2,(H,13,15).
What are the key properties of N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide?
N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide has a molecular weight of 251.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide is sourced from PubChem (CID 24994520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).