N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide

C14H17N3OS — CID 122564478

IUPACN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC1(Cn2ccnc2)CC1
InChIInChI=1S/C14H17N3OS/c18-13(7-12-1-6-19-8-12)16-9-14(2-3-14)10-17-5-4-15-11-17/h1,4-6,8,11H,2-3,7,9-10H2,(H,16,18)
InChIKeyRYMIFQBCMMJAQH-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.08
Rot. Bonds6

About N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide

N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 122564478) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide
PubChem CID122564478
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC1(Cn2ccnc2)CC1
InChIInChI=1S/C14H17N3OS/c18-13(7-12-1-6-19-8-12)16-9-14(2-3-14)10-17-5-4-15-11-17/h1,4-6,8,11H,2-3,7,9-10H2,(H,16,18)
InChIKeyRYMIFQBCMMJAQH-UHFFFAOYSA-N
XLogP2.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide (CID 122564478) is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCC1(Cn2ccnc2)CC1.
What is the InChIKey of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is RYMIFQBCMMJAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-13(7-12-1-6-19-8-12)16-9-14(2-3-14)10-17-5-4-15-11-17/h1,4-6,8,11H,2-3,7,9-10H2,(H,16,18).
What are the key properties of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide?
N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 122564478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).