1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine

C10H11N2S- — CID 91928127

IUPAC1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1cc(CNCc2nccs2)c[cH-]1
InChIInChI=1S/C10H11N2S/c1-2-4-9(3-1)7-11-8-10-12-5-6-13-10/h1-6,11H,7-8H2/q-1
InChIKeyBTJPURRBVFQTAS-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.15
Rot. Bonds4

About 1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine

1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 91928127) has the molecular formula C10H11N2S- and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID91928127
Molecular FormulaC10H11N2S-
Molecular Weight191.28 g/mol
Exact Mass191.06
IUPAC Name1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1cc(CNCc2nccs2)c[cH-]1
InChIInChI=1S/C10H11N2S/c1-2-4-9(3-1)7-11-8-10-12-5-6-13-10/h1-6,11H,7-8H2/q-1
InChIKeyBTJPURRBVFQTAS-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 79978937
1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
CID 155977994
1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 91928163
1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60960350
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60960358
2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol
CID 61284615
3-[(1,3-thiazol-2-ylmethylamino)methyl]benzonitrile
CID 60960478
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001689
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807
1-(1,2-oxazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106414886

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 91928127) is 1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine is c1cc(CNCc2nccs2)c[cH-]1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is BTJPURRBVFQTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2S/c1-2-4-9(3-1)7-11-8-10-12-5-6-13-10/h1-6,11H,7-8H2/q-1.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 91928127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).