(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole

C10H15NS — CID 10081028

IUPAC(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1
InChIInChI=1S/C10H15NS/c1-3-4-8-6-12-10(11-8)9-5-7(9)2/h3-4,7-9H,5-6H2,1-2H3/b4-3-/t7-,8+,9+/m0/s1
InChIKeyBSYGRJDZFKCKNE-CYNMXQHZSA-N
MW181.30 g/mol
LogP2.73
Rot. Bonds2

About (4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole

(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole (PubChem CID 10081028) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
PubChem CID10081028
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1
InChIInChI=1S/C10H15NS/c1-3-4-8-6-12-10(11-8)9-5-7(9)2/h3-4,7-9H,5-6H2,1-2H3/b4-3-/t7-,8+,9+/m0/s1
InChIKeyBSYGRJDZFKCKNE-CYNMXQHZSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole (CID 10081028) is (4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole is C/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1.
What is the InChIKey of (4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is BSYGRJDZFKCKNE-CYNMXQHZSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-4-8-6-12-10(11-8)9-5-7(9)2/h3-4,7-9H,5-6H2,1-2H3/b4-3-/t7-,8+,9+/m0/s1.
What are the key properties of (4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole?
(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 10081028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).