N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine

C12H14ClN3S — CID 106575425

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCc1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3S/c1-3-6-16-8-9(2)15-12(16)14-7-10-4-5-11(13)17-10/h3-5,8H,1,6-7H2,2H3,(H,14,15)
InChIKeyXMOYNGUQMHHLED-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.70
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106575425) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106575425
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCc1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3S/c1-3-6-16-8-9(2)15-12(16)14-7-10-4-5-11(13)17-10/h3-5,8H,1,6-7H2,2H3,(H,14,15)
InChIKeyXMOYNGUQMHHLED-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106575438
4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
CID 106571379
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106569972
4-methyl-1-prop-2-enyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576478
2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
CID 106566233
N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
CID 106570425
4-chloro-5-[(5-chlorothiophen-2-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114438563
1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine
CID 106575435
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106567076
N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 107623858
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106579897
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106575425) is N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is XMOYNGUQMHHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-3-6-16-8-9(2)15-12(16)14-7-10-4-5-11(13)17-10/h3-5,8H,1,6-7H2,2H3,(H,14,15).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 267.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106575425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).